(4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone

C24H29ClN4O2 — CID 21306908

IUPAC(4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone
SMILESCC(c1ccncc1)N1CCN(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H29ClN4O2/c1-18(19-6-10-26-11-7-19)27-14-16-29(17-15-27)24(31)28-12-8-21(9-13-28)23(30)20-2-4-22(25)5-3-20/h2-7,10-11,18,21H,8-9,12-17H2,1H3
InChIKeyDYBMUAGEDCOHKZ-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.13
Rot. Bonds4

About (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone

(4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone (PubChem CID 21306908) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone
PubChem CID21306908
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name(4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone
SMILESCC(c1ccncc1)N1CCN(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H29ClN4O2/c1-18(19-6-10-26-11-7-19)27-14-16-29(17-15-27)24(31)28-12-8-21(9-13-28)23(30)20-2-4-22(25)5-3-20/h2-7,10-11,18,21H,8-9,12-17H2,1H3
InChIKeyDYBMUAGEDCOHKZ-UHFFFAOYSA-N
XLogP4.13
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-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

(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
CID 136524982
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
2,2-dimethyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110460739
1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110459300
propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate
CID 20754611
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110460967
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 161046033
N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
CID 86919422
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone (CID 21306908) is (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone is CC(c1ccncc1)N1CCN(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone?
The InChIKey is DYBMUAGEDCOHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-18(19-6-10-26-11-7-19)27-14-16-29(17-15-27)24(31)28-12-8-21(9-13-28)23(30)20-2-4-22(25)5-3-20/h2-7,10-11,18,21H,8-9,12-17H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone has a molecular weight of 440.98 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 21306908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).