1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide

C27H29N5O2 — CID 53236889

IUPAC1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide
SMILESN#CC1(c2ccccn2)CCN(Cc2cc(C(=O)NC3CCCC3)c(=O)n3ccccc23)CC1
InChIInChI=1S/C27H29N5O2/c28-19-27(24-10-3-5-13-29-24)11-15-31(16-12-27)18-20-17-22(25(33)30-21-7-1-2-8-21)26(34)32-14-6-4-9-23(20)32/h3-6,9-10,13-14,17,21H,1-2,7-8,11-12,15-16,18H2,(H,30,33)
InChIKeyGZCQUBZRWYUBQW-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.42
Rot. Bonds5

About 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide

1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide (PubChem CID 53236889) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide
PubChem CID53236889
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide
SMILESN#CC1(c2ccccn2)CCN(Cc2cc(C(=O)NC3CCCC3)c(=O)n3ccccc23)CC1
InChIInChI=1S/C27H29N5O2/c28-19-27(24-10-3-5-13-29-24)11-15-31(16-12-27)18-20-17-22(25(33)30-21-7-1-2-8-21)26(34)32-14-6-4-9-23(20)32/h3-6,9-10,13-14,17,21H,1-2,7-8,11-12,15-16,18H2,(H,30,33)
InChIKeyGZCQUBZRWYUBQW-UHFFFAOYSA-N
XLogP3.42
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide?
The IUPAC name of 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide (CID 53236889) is 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide.
What is the SMILES notation for 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide?
The canonical SMILES for 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide is N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)NC3CCCC3)c(=O)n3ccccc23)CC1.
What is the InChIKey of 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide?
The InChIKey is GZCQUBZRWYUBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c28-19-27(24-10-3-5-13-29-24)11-15-31(16-12-27)18-20-17-22(25(33)30-21-7-1-2-8-21)26(34)32-14-6-4-9-23(20)32/h3-6,9-10,13-14,17,21H,1-2,7-8,11-12,15-16,18H2,(H,30,33).
What are the key properties of 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide?
1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-cyclopentyl-4-oxoquinolizine-3-carboxamide is sourced from PubChem (CID 53236889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).