1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C19H29N3O3S — CID 55980735

IUPAC1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N(Cc2ccncc2)C2CC2)CC1
InChIInChI=1S/C19H29N3O3S/c1-2-3-14-26(24,25)21-12-8-17(9-13-21)19(23)22(18-4-5-18)15-16-6-10-20-11-7-16/h6-7,10-11,17-18H,2-5,8-9,12-15H2,1H3
InChIKeyUJIVZBQGAKZBIS-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.41
Rot. Bonds8

About 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 55980735) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID55980735
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N(Cc2ccncc2)C2CC2)CC1
InChIInChI=1S/C19H29N3O3S/c1-2-3-14-26(24,25)21-12-8-17(9-13-21)19(23)22(18-4-5-18)15-16-6-10-20-11-7-16/h6-7,10-11,17-18H,2-5,8-9,12-15H2,1H3
InChIKeyUJIVZBQGAKZBIS-UHFFFAOYSA-N
XLogP2.41
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55767227
N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide
CID 170623094
4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79510873
2-[(1-butylsulfonylpiperidine-4-carbonyl)-methylamino]acetic acid
CID 119171791
N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 24603644
N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 170623135
1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 6472190
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39947147
N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 106739301
(1-butylsulfonylpiperidin-4-yl)-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 55766941
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide;formic acid
CID 154912619

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 55980735) is 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)N(Cc2ccncc2)C2CC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UJIVZBQGAKZBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-2-3-14-26(24,25)21-12-8-17(9-13-21)19(23)22(18-4-5-18)15-16-6-10-20-11-7-16/h6-7,10-11,17-18H,2-5,8-9,12-15H2,1H3.
What are the key properties of 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55980735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).