1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide

C21H26ClN3O3S — CID 55587245

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCN(CCc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-2-24(14-10-17-7-4-3-5-8-17)21(26)18-11-15-25(16-12-18)29(27,28)19-9-6-13-23-20(19)22/h3-9,13,18H,2,10-12,14-16H2,1H3
InChIKeyOJWCBPYDOWKVCV-UHFFFAOYSA-N
MW435.98 g/mol
LogP3.23
Rot. Bonds7

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

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 55587245) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID55587245
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCN(CCc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-2-24(14-10-17-7-4-3-5-8-17)21(26)18-11-15-25(16-12-18)29(27,28)19-9-6-13-23-20(19)22/h3-9,13,18H,2,10-12,14-16H2,1H3
InChIKeyOJWCBPYDOWKVCV-UHFFFAOYSA-N
XLogP3.23
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55897211
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 31122765
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine
CID 113246633
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55724375
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 86961302
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60615480
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51331040

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide (CID 55587245) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide is CCN(CCc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is OJWCBPYDOWKVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-2-24(14-10-17-7-4-3-5-8-17)21(26)18-11-15-25(16-12-18)29(27,28)19-9-6-13-23-20(19)22/h3-9,13,18H,2,10-12,14-16H2,1H3.
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 435.98 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55587245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).