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

C23H36ClN3O3S — CID 92672052

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C23H36ClN3O3S/c1-2-21-9-5-6-14-26(21)15-7-13-25-23(28)19-11-16-27(17-12-19)31(29,30)18-20-8-3-4-10-22(20)24/h3-4,8,10,19,21H,2,5-7,9,11-18H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyCNMJNJOZVVKSNO-NRFANRHFSA-N
MW470.08 g/mol
LogP3.65
Rot. Bonds9

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

1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 92672052) has the molecular formula C23H36ClN3O3S and a molecular weight of 470.08 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
PubChem CID92672052
Molecular FormulaC23H36ClN3O3S
Molecular Weight470.08 g/mol
Exact Mass469.22
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C23H36ClN3O3S/c1-2-21-9-5-6-14-26(21)15-7-13-25-23(28)19-11-16-27(17-12-19)31(29,30)18-20-8-3-4-10-22(20)24/h3-4,8,10,19,21H,2,5-7,9,11-18H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyCNMJNJOZVVKSNO-NRFANRHFSA-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

1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92680805
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 28574520
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46772307
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 28637020
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 46771864
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-4-carboxamide
CID 53283985
1-[(2-chlorophenyl)methylsulfonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43909904
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 43927924
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384777
(3S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 124757090
1-[(2-chlorophenyl)methylsulfonyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 99958010

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide (CID 92672052) is 1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide is CC[C@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The InChIKey is CNMJNJOZVVKSNO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H36ClN3O3S/c1-2-21-9-5-6-14-26(21)15-7-13-25-23(28)19-11-16-27(17-12-19)31(29,30)18-20-8-3-4-10-22(20)24/h3-4,8,10,19,21H,2,5-7,9,11-18H2,1H3,(H,25,28)/t21-/m0/s1.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-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-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 92672052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).