3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C27H43ClN4O3 — CID 68714483

IUPAC3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCCCC1)NC(=O)N1CCCC(C(O)(CCCC(N)=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C27H43ClN4O3/c1-30-18-24(16-20-8-3-2-4-9-20)31-26(34)32-15-7-11-22(19-32)27(35,14-6-13-25(29)33)21-10-5-12-23(28)17-21/h5,10,12,17,20,22,24,30,35H,2-4,6-9,11,13-16,18-19H2,1H3,(H2,29,33)(H,31,34)
InChIKeyGQELMDZEQHGFMK-UHFFFAOYSA-N
MW507.12 g/mol
LogP4.16
Rot. Bonds11

About 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 68714483) has the molecular formula C27H43ClN4O3 and a molecular weight of 507.12 g/mol. Its IUPAC name is 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID68714483
Molecular FormulaC27H43ClN4O3
Molecular Weight507.12 g/mol
Exact Mass506.30
IUPAC Name3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCCCC1)NC(=O)N1CCCC(C(O)(CCCC(N)=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C27H43ClN4O3/c1-30-18-24(16-20-8-3-2-4-9-20)31-26(34)32-15-7-11-22(19-32)27(35,14-6-13-25(29)33)21-10-5-12-23(28)17-21/h5,10,12,17,20,22,24,30,35H,2-4,6-9,11,13-16,18-19H2,1H3,(H2,29,33)(H,31,34)
InChIKeyGQELMDZEQHGFMK-UHFFFAOYSA-N
XLogP4.16
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.12
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[1-(3-chlorophenyl)-4-cyclopropyl-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67190797
(3R)-3-[1-(3-chlorophenyl)-5-cyclopropyl-1-hydroxypentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67191579
(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(methanesulfinamido)butyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 70327806
methyl N-[(4S)-4-(3-chlorophenyl)-4-[(3R)-1-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]-4-hydroxybutyl]carbamate
CID 46225011
3-[1-(3-chlorophenyl)-1-hydroxy-4-(methanesulfonamido)butyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67192954
(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 87303795
3-[1-(3-chlorophenyl)-1,5-dimethoxypentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67191243
(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]piperidine-1-carboxamide
CID 67189993
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-hydroxy-5-methoxy-1-[3-(trifluoromethyl)phenyl]pentyl]piperidine-1-carboxamide
CID 11555687
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 11584044
(3R)-1-[(3R)-3-[(1S)-1-(3-chlorophenyl)-4-cyclopropyl-1-hydroxybutyl]piperidin-1-yl]-3-(cyclohexylmethyl)-4-(methylamino)butan-1-one
CID 58246760
(3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1R)-4-ethoxy-1-hydroxy-1-phenylbutyl]piperidine-1-carboxamide
CID 68708164

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 68714483) is 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNCC(CC1CCCCC1)NC(=O)N1CCCC(C(O)(CCCC(N)=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is GQELMDZEQHGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43ClN4O3/c1-30-18-24(16-20-8-3-2-4-9-20)31-26(34)32-15-7-11-22(19-32)27(35,14-6-13-25(29)33)21-10-5-12-23(28)17-21/h5,10,12,17,20,22,24,30,35H,2-4,6-9,11,13-16,18-19H2,1H3,(H2,29,33)(H,31,34).
What are the key properties of 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 507.12 g/mol, XLogP of 4.16, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(3-chlorophenyl)-1-hydroxy-5-oxopentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 68714483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).