1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide

C21H26ClN3O4S — CID 55512060

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)c1ccc(OC)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-3-18(15-6-8-17(29-2)9-7-15)24-21(26)16-10-13-25(14-11-16)30(27,28)19-5-4-12-23-20(19)22/h4-9,12,16,18H,3,10-11,13-14H2,1-2H3,(H,24,26)
InChIKeyREJFWKLMMPPMSY-UHFFFAOYSA-N
MW451.98 g/mol
LogP3.41
Rot. Bonds7

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide (PubChem CID 55512060) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
PubChem CID55512060
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)c1ccc(OC)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-3-18(15-6-8-17(29-2)9-7-15)24-21(26)16-10-13-25(14-11-16)30(27,28)19-5-4-12-23-20(19)22/h4-9,12,16,18H,3,10-11,13-14H2,1-2H3,(H,24,26)
InChIKeyREJFWKLMMPPMSY-UHFFFAOYSA-N
XLogP3.41
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072801
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 55509813
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794396
(4S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311059
1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
CID 133191833
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
1-[(3-bromophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 28635610
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94013311

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide (CID 55512060) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)c1ccc(OC)cc1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is REJFWKLMMPPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-3-18(15-6-8-17(29-2)9-7-15)24-21(26)16-10-13-25(14-11-16)30(27,28)19-5-4-12-23-20(19)22/h4-9,12,16,18H,3,10-11,13-14H2,1-2H3,(H,24,26).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 451.98 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 55512060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).