(3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one

C63H77N7O2 — CID 159342694

IUPAC(3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one
SMILESCCCCn1c([C@@H]2CCCN(C(=O)C[C@H](C)Cc3ccc4ccccc4c3)C2)nc2cc(C)ccc21.CCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc4ccccc4c3)C2)nc2cc(C)ccc21
InChIInChI=1S/C32H39N3O.C31H38N4O/c1-4-5-17-35-30-15-12-23(2)19-29(30)33-32(35)28-11-8-16-34(22-28)31(36)20-24(3)18-25-13-14-26-9-6-7-10-27(26)21-25;1-3-4-16-35-29-14-11-22(2)17-28(29)33-31(35)26-10-7-15-34(21-26)30(36)20-27(32)19-23-12-13-24-8-5-6-9-25(24)18-23/h6-7,9-10,12-15,19,21,24,28H,4-5,8,11,16-18,20,22H2,1-3H3;5-6,8-9,11-14,17-18,26-27H,3-4,7,10,15-16,19-21,32H2,1-2H3/t24-,28-;26-,27-/m11/s1
InChIKeyLGIGEKVXIADSIM-UJDINVIKSA-N
MW964.36 g/mol
LogP13.24
Rot. Bonds16

About (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one

(3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one (PubChem CID 159342694) has the molecular formula C63H77N7O2 and a molecular weight of 964.36 g/mol. Its IUPAC name is (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one
PubChem CID159342694
Molecular FormulaC63H77N7O2
Molecular Weight964.36 g/mol
Exact Mass963.61
IUPAC Name(3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one
SMILESCCCCn1c([C@@H]2CCCN(C(=O)C[C@H](C)Cc3ccc4ccccc4c3)C2)nc2cc(C)ccc21.CCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc4ccccc4c3)C2)nc2cc(C)ccc21
InChIInChI=1S/C32H39N3O.C31H38N4O/c1-4-5-17-35-30-15-12-23(2)19-29(30)33-32(35)28-11-8-16-34(22-28)31(36)20-24(3)18-25-13-14-26-9-6-7-10-27(26)21-25;1-3-4-16-35-29-14-11-22(2)17-28(29)33-31(35)26-10-7-15-34(21-26)30(36)20-27(32)19-23-12-13-24-8-5-6-9-25(24)18-23/h6-7,9-10,12-15,19,21,24,28H,4-5,8,11,16-18,20,22H2,1-3H3;5-6,8-9,11-14,17-18,26-27H,3-4,7,10,15-16,19-21,32H2,1-2H3/t24-,28-;26-,27-/m11/s1
InChIKeyLGIGEKVXIADSIM-UJDINVIKSA-N
XLogP13.24
TPSA102.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.36
LogP ≤ 513.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-amino-1-[3-[1-(3-methoxypropyl)-5-propan-2-ylbenzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one
CID 66791841
N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
CID 66785919
(3R)-3-amino-1-[3-[1-(3-methoxypropyl)-6-propan-2-ylbenzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one
CID 66791549
(3R)-3-amino-1-[(3R)-3-[1-(3-methoxypropyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-[1-(3-methoxypropyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one
CID 158943675
(3R)-3-amino-1-[(3R)-3-(1-butylbenzimidazol-2-yl)piperidin-1-yl]-4-[4-(4-phenylpiperazin-1-yl)phenyl]butan-1-one
CID 66791557
(3R)-3-amino-1-[3-[6-(hydroxymethyl)-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one
CID 66784278
(3R)-3-amino-1-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-[4-(4-methylphenyl)phenyl]butan-1-one
CID 66791573
(3R)-3-amino-1-[(3R)-3-[1-(3-methoxypropyl)-6-nitrobenzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one
CID 56933184
3-amino-1-[3-[7-methoxy-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one
CID 66785016
(3R)-3-amino-1-[(3R)-3-[7-methoxy-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one
CID 56933166
3-amino-4-(3,4-difluorophenyl)-1-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]butan-1-one
CID 66784478
3-amino-1-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-(4-phenylphenyl)butan-1-one
CID 66784449

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one?
The IUPAC name of (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one (CID 159342694) is (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one.
What is the SMILES notation for (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one?
The canonical SMILES for (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one is CCCCn1c([C@@H]2CCCN(C(=O)C[C@H](C)Cc3ccc4ccccc4c3)C2)nc2cc(C)ccc21.CCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc4ccccc4c3)C2)nc2cc(C)ccc21.
What is the InChIKey of (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one?
The InChIKey is LGIGEKVXIADSIM-UJDINVIKSA-N. The full InChI is InChI=1S/C32H39N3O.C31H38N4O/c1-4-5-17-35-30-15-12-23(2)19-29(30)33-32(35)28-11-8-16-34(22-28)31(36)20-24(3)18-25-13-14-26-9-6-7-10-27(26)21-25;1-3-4-16-35-29-14-11-22(2)17-28(29)33-31(35)26-10-7-15-34(21-26)30(36)20-27(32)19-23-12-13-24-8-5-6-9-25(24)18-23/h6-7,9-10,12-15,19,21,24,28H,4-5,8,11,16-18,20,22H2,1-3H3;5-6,8-9,11-14,17-18,26-27H,3-4,7,10,15-16,19-21,32H2,1-2H3/t24-,28-;26-,27-/m11/s1.
What are the key properties of (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one?
(3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one has a molecular weight of 964.36 g/mol, XLogP of 13.24, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;(3R)-1-[(3R)-3-(1-butyl-5-methylbenzimidazol-2-yl)piperidin-1-yl]-3-methyl-4-naphthalen-2-ylbutan-1-one is sourced from PubChem (CID 159342694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).