(1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C37H48ClN5O4 — CID 10283208

IUPAC(1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC1(C)NC(=O)N(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3CCc4ccccc4[C@@H]3N)CC2)C1=O
InChIInChI=1S/C37H48ClN5O4/c1-36(2)34(46)43(35(47)41-36)23-37(26-9-4-3-5-10-26)18-20-42(21-19-37)33(45)30(22-24-12-15-27(38)16-13-24)40-32(44)29-17-14-25-8-6-7-11-28(25)31(29)39/h6-8,11-13,15-16,26,29-31H,3-5,9-10,14,17-23,39H2,1-2H3,(H,40,44)(H,41,47)/t29-,30-,31+/m1/s1
InChIKeyLOHRUHOZRRDMGY-OLUZHXLYSA-N
MW662.28 g/mol
LogP5.15
Rot. Bonds8

About (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

(1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 10283208) has the molecular formula C37H48ClN5O4 and a molecular weight of 662.28 g/mol. Its IUPAC name is (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID10283208
Molecular FormulaC37H48ClN5O4
Molecular Weight662.28 g/mol
Exact Mass661.34
IUPAC Name(1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC1(C)NC(=O)N(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3CCc4ccccc4[C@@H]3N)CC2)C1=O
InChIInChI=1S/C37H48ClN5O4/c1-36(2)34(46)43(35(47)41-36)23-37(26-9-4-3-5-10-26)18-20-42(21-19-37)33(45)30(22-24-12-15-27(38)16-13-24)40-32(44)29-17-14-25-8-6-7-11-28(25)31(29)39/h6-8,11-13,15-16,26,29-31H,3-5,9-10,14,17-23,39H2,1-2H3,(H,40,44)(H,41,47)/t29-,30-,31+/m1/s1
InChIKeyLOHRUHOZRRDMGY-OLUZHXLYSA-N
XLogP5.15
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.28
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 142117226
1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 10211481
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide
CID 142117183
(1S,2S)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1-methyl-3,4-dihydro-2H-naphthalene-2-carboxamide
CID 10305143
1-[(2R)-2-[(1-amino-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]-3-(4-chlorophenyl)propanoyl]-N-tert-butyl-4-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 10233235
N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(5,5-dimethyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 22949141
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(propan-2-ylsulfinylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 59875577
10-amino-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide
CID 10304921
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 59875578
(3R)-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 137378852
N-[(2R)-1-(4-acetamido-4-cyclohexylpiperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 142031665
N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(dimethylcarbamoyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 22949144

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 10283208) is (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC1(C)NC(=O)N(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3CCc4ccccc4[C@@H]3N)CC2)C1=O.
What is the InChIKey of (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is LOHRUHOZRRDMGY-OLUZHXLYSA-N. The full InChI is InChI=1S/C37H48ClN5O4/c1-36(2)34(46)43(35(47)41-36)23-37(26-9-4-3-5-10-26)18-20-42(21-19-37)33(45)30(22-24-12-15-27(38)16-13-24)40-32(44)29-17-14-25-8-6-7-11-28(25)31(29)39/h6-8,11-13,15-16,26,29-31H,3-5,9-10,14,17-23,39H2,1-2H3,(H,40,44)(H,41,47)/t29-,30-,31+/m1/s1.
What are the key properties of (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
(1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 662.28 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 10283208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).