N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C19H29N3O3S — CID 46409150

IUPACN-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCN(CC1CCCCC1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-21(15-16-6-3-2-4-7-16)19(23)17-9-12-22(13-10-17)26(24,25)18-8-5-11-20-14-18/h5,8,11,14,16-17H,2-4,6-7,9-10,12-13,15H2,1H3
InChIKeyVJBUGWVDUQSVIE-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.52
Rot. Bonds5

About N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 46409150) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID46409150
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCN(CC1CCCCC1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-21(15-16-6-3-2-4-7-16)19(23)17-9-12-22(13-10-17)26(24,25)18-8-5-11-20-14-18/h5,8,11,14,16-17H,2-4,6-7,9-10,12-13,15H2,1H3
InChIKeyVJBUGWVDUQSVIE-UHFFFAOYSA-N
XLogP2.52
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 46409150) is N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CN(CC1CCCCC1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is VJBUGWVDUQSVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-21(15-16-6-3-2-4-7-16)19(23)17-9-12-22(13-10-17)26(24,25)18-8-5-11-20-14-18/h5,8,11,14,16-17H,2-4,6-7,9-10,12-13,15H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46409150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).