1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide

C18H21ClN4O — CID 42959099

IUPAC1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1
InChIInChI=1S/C18H21ClN4O/c1-13(14-6-3-2-4-7-14)20-18(24)15-8-5-11-23(12-15)17-10-9-16(19)21-22-17/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,20,24)
InChIKeyJYIHQHHKVKDZGA-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.22
Rot. Bonds4

About 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide

1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 42959099) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID42959099
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1
InChIInChI=1S/C18H21ClN4O/c1-13(14-6-3-2-4-7-14)20-18(24)15-8-5-11-23(12-15)17-10-9-16(19)21-22-17/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,20,24)
InChIKeyJYIHQHHKVKDZGA-UHFFFAOYSA-N
XLogP3.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955070
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 51983822
(3S)-1-(6-chloropyridazin-3-yl)-N-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine-3-carboxamide
CID 51956085
(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 51956311
(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 95069334
cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 167817663
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 53071041
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide
CID 51956343
1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 51950120
(3S)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95069461

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide (CID 42959099) is 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is JYIHQHHKVKDZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-13(14-6-3-2-4-7-14)20-18(24)15-8-5-11-23(12-15)17-10-9-16(19)21-22-17/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,20,24).
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide?
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42959099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).