1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide

C21H25N3O3S — CID 75474607

IUPAC1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide
SMILESO=C(c1ccccc1)N1CCCC(S(=O)(=O)NCC2(c3ccncc3)CC2)C1
InChIInChI=1S/C21H25N3O3S/c25-20(17-5-2-1-3-6-17)24-14-4-7-19(15-24)28(26,27)23-16-21(10-11-21)18-8-12-22-13-9-18/h1-3,5-6,8-9,12-13,19,23H,4,7,10-11,14-16H2
InChIKeyXNNWHGIYXLQMRK-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.34
Rot. Bonds6

About 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide

1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide (PubChem CID 75474607) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide
PubChem CID75474607
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide
SMILESO=C(c1ccccc1)N1CCCC(S(=O)(=O)NCC2(c3ccncc3)CC2)C1
InChIInChI=1S/C21H25N3O3S/c25-20(17-5-2-1-3-6-17)24-14-4-7-19(15-24)28(26,27)23-16-21(10-11-21)18-8-12-22-13-9-18/h1-3,5-6,8-9,12-13,19,23H,4,7,10-11,14-16H2
InChIKeyXNNWHGIYXLQMRK-UHFFFAOYSA-N
XLogP2.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97344312
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 75474412
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 166232544
2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 75474373
4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
CID 75474370
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
CID 97348370
1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide
CID 146088384
(3S)-1-(imidazo[1,5-a]pyridine-7-carbonyl)-N-phenylpiperidine-3-sulfonamide
CID 97348345

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide?
The IUPAC name of 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide (CID 75474607) is 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide is O=C(c1ccccc1)N1CCCC(S(=O)(=O)NCC2(c3ccncc3)CC2)C1.
What is the InChIKey of 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide?
The InChIKey is XNNWHGIYXLQMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-20(17-5-2-1-3-6-17)24-14-4-7-19(15-24)28(26,27)23-16-21(10-11-21)18-8-12-22-13-9-18/h1-3,5-6,8-9,12-13,19,23H,4,7,10-11,14-16H2.
What are the key properties of 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide?
1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide has a molecular weight of 399.52 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 75474607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).