(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide

C14H21ClN4O2 — CID 51983369

IUPAC(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C14H21ClN4O2/c1-21-9-3-7-16-14(20)11-4-2-8-19(10-11)13-6-5-12(15)17-18-13/h5-6,11H,2-4,7-10H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyUFSNSGLIBPXAIT-NSHDSACASA-N
MW312.80 g/mol
LogP1.50
Rot. Bonds6

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

(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide (PubChem CID 51983369) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is (3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
PubChem CID51983369
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C14H21ClN4O2/c1-21-9-3-7-16-14(20)11-4-2-8-19(10-11)13-6-5-12(15)17-18-13/h5-6,11H,2-4,7-10H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyUFSNSGLIBPXAIT-NSHDSACASA-N
XLogP1.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94161671
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53056955
N-(3-methoxypropyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 20933349
(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 95065158
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96556893
(3S)-1-(6-chloropyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51983817
(3R)-1-(6-chloropyridazin-3-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide
CID 96558407
1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide
CID 71701084
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118608
(3R)-N-(3-methoxypropyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085563

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide (CID 51983369) is (3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide is COCCCNC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of (3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
The InChIKey is UFSNSGLIBPXAIT-NSHDSACASA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-21-9-3-7-16-14(20)11-4-2-8-19(10-11)13-6-5-12(15)17-18-13/h5-6,11H,2-4,7-10H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 51983369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).