(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C22H30N4O2 — CID 95065158

IUPAC(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H30N4O2/c1-17(2)28-15-7-13-23-22(27)19-10-6-14-26(16-19)21-12-11-20(24-25-21)18-8-4-3-5-9-18/h3-5,8-9,11-12,17,19H,6-7,10,13-16H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyGGBRRFQYHXUQHJ-LJQANCHMSA-N
MW382.51 g/mol
LogP3.29
Rot. Bonds8

About (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 95065158) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID95065158
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H30N4O2/c1-17(2)28-15-7-13-23-22(27)19-10-6-14-26(16-19)21-12-11-20(24-25-21)18-8-4-3-5-9-18/h3-5,8-9,11-12,17,19H,6-7,10,13-16H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyGGBRRFQYHXUQHJ-LJQANCHMSA-N
XLogP3.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.29
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

(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 98746052
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 121071544
N-[3-(N-methylanilino)propyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025081
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071260
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351172
(3S)-1-(6-phenylpyridazin-3-yl)-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide
CID 93055655
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20889432
N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 95065158) is (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is GGBRRFQYHXUQHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(2)28-15-7-13-23-22(27)19-10-6-14-26(16-19)21-12-11-20(24-25-21)18-8-4-3-5-9-18/h3-5,8-9,11-12,17,19H,6-7,10,13-16H2,1-2H3,(H,23,27)/t19-/m1/s1.
What are the key properties of (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 95065158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).