N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide

C22H29N3O4S — CID 20903556

IUPACN-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1
InChIInChI=1S/C22H29N3O4S/c26-21-12-9-16-14-19(10-11-20(16)24-21)30(28,29)25-13-5-6-17(15-25)22(27)23-18-7-3-1-2-4-8-18/h9-12,14,17-18H,1-8,13,15H2,(H,23,27)(H,24,26)
InChIKeyFYFQWERNRHQEBJ-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.77
Rot. Bonds4

About N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide

N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 20903556) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID20903556
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1
InChIInChI=1S/C22H29N3O4S/c26-21-12-9-16-14-19(10-11-20(16)24-21)30(28,29)25-13-5-6-17(15-25)22(27)23-18-7-3-1-2-4-8-18/h9-12,14,17-18H,1-8,13,15H2,(H,23,27)(H,24,26)
InChIKeyFYFQWERNRHQEBJ-UHFFFAOYSA-N
XLogP2.77
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549884
N-cyclopentyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549885
N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903565
N-(3,5-dimethoxyphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903559
N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903574
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712238
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 11502569
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide (CID 20903556) is N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1.
What is the InChIKey of N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is FYFQWERNRHQEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c26-21-12-9-16-14-19(10-11-20(16)24-21)30(28,29)25-13-5-6-17(15-25)22(27)23-18-7-3-1-2-4-8-18/h9-12,14,17-18H,1-8,13,15H2,(H,23,27)(H,24,26).
What are the key properties of N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 20903556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).