1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide

C23H36ClN3O3S — CID 92680805

IUPAC1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H36ClN3O3S/c1-2-22-9-3-4-13-26(22)14-6-12-25-23(28)20-10-15-27(16-11-20)31(29,30)18-19-7-5-8-21(24)17-19/h5,7-8,17,20,22H,2-4,6,9-16,18H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyGZNYFTCPZQCSSH-JOCHJYFZSA-N
MW470.08 g/mol
LogP3.65
Rot. Bonds9

About 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide

1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 92680805) has the molecular formula C23H36ClN3O3S and a molecular weight of 470.08 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
PubChem CID92680805
Molecular FormulaC23H36ClN3O3S
Molecular Weight470.08 g/mol
Exact Mass469.22
IUPAC Name1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H36ClN3O3S/c1-2-22-9-3-4-13-26(22)14-6-12-25-23(28)20-10-15-27(16-11-20)31(29,30)18-19-7-5-8-21(24)17-19/h5,7-8,17,20,22H,2-4,6,9-16,18H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyGZNYFTCPZQCSSH-JOCHJYFZSA-N
XLogP3.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.08
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46772307
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92672052
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 99951535
1-(3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706023
1-(3-chlorophenyl)-3-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706022
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
N-(5-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642541
(2R)-2-(3-chlorophenoxy)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 94018587
1-benzylsulfonyl-N-[4-(4-methylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 55691039
1-[(3-methylphenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 99952977
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 92641650
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 92641651

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide (CID 92680805) is 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide is CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The InChIKey is GZNYFTCPZQCSSH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H36ClN3O3S/c1-2-22-9-3-4-13-26(22)14-6-12-25-23(28)20-10-15-27(16-11-20)31(29,30)18-19-7-5-8-21(24)17-19/h5,7-8,17,20,22H,2-4,6,9-16,18H2,1H3,(H,25,28)/t22-/m1/s1.
What are the key properties of 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 470.08 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 92680805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).