(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

C22H29N5O2 — CID 95115278

IUPAC(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C22H29N5O2/c28-21-13-20(14-23-25-21)27-10-4-7-18(16-27)22(29)24-19-8-11-26(12-9-19)15-17-5-2-1-3-6-17/h1-3,5-6,13-14,18-19H,4,7-12,15-16H2,(H,24,29)(H,25,28)/t18-/m1/s1
InChIKeyPZVCZMRHZYTKBX-GOSISDBHSA-N
MW395.51 g/mol
LogP1.77
Rot. Bonds5

About (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 95115278) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID95115278
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C22H29N5O2/c28-21-13-20(14-23-25-21)27-10-4-7-18(16-27)22(29)24-19-8-11-26(12-9-19)15-17-5-2-1-3-6-17/h1-3,5-6,13-14,18-19H,4,7-12,15-16H2,(H,24,29)(H,25,28)/t18-/m1/s1
InChIKeyPZVCZMRHZYTKBX-GOSISDBHSA-N
XLogP1.77
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384645
N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203871
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115412
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115413
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53204111
N-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 3873283
N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53027910
4-[(3R)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 95115266

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 95115278) is (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is PZVCZMRHZYTKBX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21-13-20(14-23-25-21)27-10-4-7-18(16-27)22(29)24-19-8-11-26(12-9-19)15-17-5-2-1-3-6-17/h1-3,5-6,13-14,18-19H,4,7-12,15-16H2,(H,24,29)(H,25,28)/t18-/m1/s1.
What are the key properties of (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95115278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).