[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

C25H27N5O2 — CID 24610413

IUPAC[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H27N5O2/c31-24(28-13-15-30(16-14-28)25(32)29-11-4-1-5-12-29)21-17-23(19-7-6-10-26-18-19)27-22-9-3-2-8-20(21)22/h2-3,6-10,17-18H,1,4-5,11-16H2
InChIKeyNNWKOKSIBTYNNU-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.66
Rot. Bonds2

About [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone (PubChem CID 24610413) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
PubChem CID24610413
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H27N5O2/c31-24(28-13-15-30(16-14-28)25(32)29-11-4-1-5-12-29)21-17-23(19-7-6-10-26-18-19)27-22-9-3-2-8-20(21)22/h2-3,6-10,17-18H,1,4-5,11-16H2
InChIKeyNNWKOKSIBTYNNU-UHFFFAOYSA-N
XLogP3.66
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone 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

piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 56522168
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 97148065
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931994
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462

Frequently Asked Questions

What is the IUPAC name of [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone (CID 24610413) is [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone is O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
The InChIKey is NNWKOKSIBTYNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-24(28-13-15-30(16-14-28)25(32)29-11-4-1-5-12-29)21-17-23(19-7-6-10-26-18-19)27-22-9-3-2-8-20(21)22/h2-3,6-10,17-18H,1,4-5,11-16H2.
What are the key properties of [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone has a molecular weight of 429.52 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone is sourced from PubChem (CID 24610413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).