N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C18H27N3O3S — CID 4137817

IUPACN-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H27N3O3S/c22-18(20-16-6-3-1-2-4-7-16)15-9-12-21(13-10-15)25(23,24)17-8-5-11-19-14-17/h5,8,11,14-16H,1-4,6-7,9-10,12-13H2,(H,20,22)
InChIKeySEKSYQQPRXPGKG-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.32
Rot. Bonds4

About N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4137817) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID4137817
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H27N3O3S/c22-18(20-16-6-3-1-2-4-7-16)15-9-12-21(13-10-15)25(23,24)17-8-5-11-19-14-17/h5,8,11,14-16H,1-4,6-7,9-10,12-13H2,(H,20,22)
InChIKeySEKSYQQPRXPGKG-UHFFFAOYSA-N
XLogP2.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602992
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 38882424
N-[cyclopentyl(thiophen-2-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46452333
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
(4-cyclopentylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 3240878
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46409150

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 4137817) is N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SEKSYQQPRXPGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-18(20-16-6-3-1-2-4-7-16)15-9-12-21(13-10-15)25(23,24)17-8-5-11-19-14-17/h5,8,11,14-16H,1-4,6-7,9-10,12-13H2,(H,20,22).
What are the key properties of N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4137817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).