(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C22H28N4O — CID 93055740

IUPAC(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC4CCCC4)C3)nn2)cc1
InChIInChI=1S/C22H28N4O/c1-16-8-10-17(11-9-16)20-12-13-21(25-24-20)26-14-4-5-18(15-26)22(27)23-19-6-2-3-7-19/h8-13,18-19H,2-7,14-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeySSCAVQNBYSKVCE-SFHVURJKSA-N
MW364.49 g/mol
LogP3.73
Rot. Bonds4

About (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 93055740) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID93055740
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC4CCCC4)C3)nn2)cc1
InChIInChI=1S/C22H28N4O/c1-16-8-10-17(11-9-16)20-12-13-21(25-24-20)26-14-4-5-18(15-26)22(27)23-19-6-2-3-7-19/h8-13,18-19H,2-7,14-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeySSCAVQNBYSKVCE-SFHVURJKSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 92866952
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025098
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53004882
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 93055740) is (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC4CCCC4)C3)nn2)cc1.
What is the InChIKey of (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is SSCAVQNBYSKVCE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16-8-10-17(11-9-16)20-12-13-21(25-24-20)26-14-4-5-18(15-26)22(27)23-19-6-2-3-7-19/h8-13,18-19H,2-7,14-15H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 93055740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).