N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

C26H30N4O3S — CID 50769456

IUPACN-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1
InChIInChI=1S/C26H30N4O3S/c31-26(27-22-9-3-1-4-10-22)21-8-7-15-29(19-21)25-14-11-20-18-23(12-13-24(20)28-25)34(32,33)30-16-5-2-6-17-30/h1,3-4,9-14,18,21H,2,5-8,15-17,19H2,(H,27,31)
InChIKeyMNIRAAJUYTZQJM-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.26
Rot. Bonds5

About N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (PubChem CID 50769456) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
PubChem CID50769456
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1
InChIInChI=1S/C26H30N4O3S/c31-26(27-22-9-3-1-4-10-22)21-8-7-15-29(19-21)25-14-11-20-18-23(12-13-24(20)28-25)34(32,33)30-16-5-2-6-17-30/h1,3-4,9-14,18,21H,2,5-8,15-17,19H2,(H,27,31)
InChIKeyMNIRAAJUYTZQJM-UHFFFAOYSA-N
XLogP4.26
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893334
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50806788
(3S)-N-(2-methylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888367
(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888286
(3R)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 92888330
(3R)-N-(2-phenylethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893353
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92867049
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 98296000
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (CID 50769456) is N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1.
What is the InChIKey of N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The InChIKey is MNIRAAJUYTZQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c31-26(27-22-9-3-1-4-10-22)21-8-7-15-29(19-21)25-14-11-20-18-23(12-13-24(20)28-25)34(32,33)30-16-5-2-6-17-30/h1,3-4,9-14,18,21H,2,5-8,15-17,19H2,(H,27,31).
What are the key properties of N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50769456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).