N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide

C30H35N5O2 — CID 66785919

IUPACN-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc4ccccc4c3)C2)nc2ccccc21
InChIInChI=1S/C30H35N5O2/c1-21(36)32-14-16-35-28-11-5-4-10-27(28)33-30(35)25-9-6-15-34(20-25)29(37)19-26(31)18-22-12-13-23-7-2-3-8-24(23)17-22/h2-5,7-8,10-13,17,25-26H,6,9,14-16,18-20,31H2,1H3,(H,32,36)/t25-,26-/m1/s1
InChIKeyOBWAUGCOBAECRU-CLJLJLNGSA-N
MW497.64 g/mol
LogP3.99
Rot. Bonds8

About N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide

N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide (PubChem CID 66785919) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
PubChem CID66785919
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC NameN-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc4ccccc4c3)C2)nc2ccccc21
InChIInChI=1S/C30H35N5O2/c1-21(36)32-14-16-35-28-11-5-4-10-27(28)33-30(35)25-9-6-15-34(20-25)29(37)19-26(31)18-22-12-13-23-7-2-3-8-24(23)17-22/h2-5,7-8,10-13,17,25-26H,6,9,14-16,18-20,31H2,1H3,(H,32,36)/t25-,26-/m1/s1
InChIKeyOBWAUGCOBAECRU-CLJLJLNGSA-N
XLogP3.99
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[1-[3-amino-4-[4-(6-amino-3-pyridinyl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
CID 66784982
N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
CID 66786086
(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-[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-[3-[1-(3-methoxypropyl)-5-propan-2-ylbenzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one
CID 66791841
(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
3-amino-4-(3,4-difluorophenyl)-1-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]butan-1-one
CID 66784478
(3R)-3-amino-1-[(3R)-3-[1-(3-methoxypropyl)-6-nitrobenzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one
CID 56933184
4-[4-[2-amino-4-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-N-(2-methoxyethyl)benzamide
CID 66785546
3-amino-1-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-(4-phenylphenyl)butan-1-one
CID 66784449
(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
3-amino-1-[3-[7-methoxy-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one
CID 66785016

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide (CID 66785919) is N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide is CC(=O)NCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc4ccccc4c3)C2)nc2ccccc21.
What is the InChIKey of N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide?
The InChIKey is OBWAUGCOBAECRU-CLJLJLNGSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-21(36)32-14-16-35-28-11-5-4-10-27(28)33-30(35)25-9-6-15-34(20-25)29(37)19-26(31)18-22-12-13-23-7-2-3-8-24(23)17-22/h2-5,7-8,10-13,17,25-26H,6,9,14-16,18-20,31H2,1H3,(H,32,36)/t25-,26-/m1/s1.
What are the key properties of N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide?
N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide has a molecular weight of 497.64 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3R)-1-[(3R)-3-amino-4-naphthalen-2-ylbutanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 66785919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).