(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide

C18H20N4O3 — CID 126446549

IUPAC(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)nn1
InChIInChI=1S/C18H20N4O3/c1-25-16-9-8-15(20-21-16)12-4-6-13(7-5-12)18(24)22-10-2-3-14(11-22)17(19)23/h4-9,14H,2-3,10-11H2,1H3,(H2,19,23)/t14-/m0/s1
InChIKeyJTWKXARYCQNMPJ-AWEZNQCLSA-N
MW340.38 g/mol
LogP1.49
Rot. Bonds4

About (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide

(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 126446549) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
PubChem CID126446549
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)nn1
InChIInChI=1S/C18H20N4O3/c1-25-16-9-8-15(20-21-16)12-4-6-13(7-5-12)18(24)22-10-2-3-14(11-22)17(19)23/h4-9,14H,2-3,10-11H2,1H3,(H2,19,23)/t14-/m0/s1
InChIKeyJTWKXARYCQNMPJ-AWEZNQCLSA-N
XLogP1.49
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 134801691
[4-(6-methoxypyridazin-3-yl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 134802267
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
CID 134801644
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119072911
(3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide
CID 99975753
1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 71895515
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 118789099
(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide
CID 125436986
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide (CID 126446549) is (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide is COc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)nn1.
What is the InChIKey of (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is JTWKXARYCQNMPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-16-9-8-15(20-21-16)12-4-6-13(7-5-12)18(24)22-10-2-3-14(11-22)17(19)23/h4-9,14H,2-3,10-11H2,1H3,(H2,19,23)/t14-/m0/s1.
What are the key properties of (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide?
(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 126446549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).