1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide

C24H29ClN4O3 — CID 175659313

IUPAC1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1(c2ccccn2)CCCN(C(=O)c2ccc(Cl)c(N3CCOCC3)c2)C1
InChIInChI=1S/C24H29ClN4O3/c1-27(2)23(31)24(21-6-3-4-10-26-21)9-5-11-29(17-24)22(30)18-7-8-19(25)20(16-18)28-12-14-32-15-13-28/h3-4,6-8,10,16H,5,9,11-15,17H2,1-2H3
InChIKeyULZFKWHTDTXYEK-UHFFFAOYSA-N
MW456.97 g/mol
LogP2.83
Rot. Bonds4

About 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide

1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 175659313) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID175659313
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1(c2ccccn2)CCCN(C(=O)c2ccc(Cl)c(N3CCOCC3)c2)C1
InChIInChI=1S/C24H29ClN4O3/c1-27(2)23(31)24(21-6-3-4-10-26-21)9-5-11-29(17-24)22(30)18-7-8-19(25)20(16-18)28-12-14-32-15-13-28/h3-4,6-8,10,16H,5,9,11-15,17H2,1-2H3
InChIKeyULZFKWHTDTXYEK-UHFFFAOYSA-N
XLogP2.83
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-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

Related Compounds

(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124966660
(4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone
CID 110150806
N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151825
(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125026063
N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151824
(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124970912
(3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023013
(3R)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023014
N,N-dimethyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151952
(3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124983995
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 175659313) is 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide is CN(C)C(=O)C1(c2ccccn2)CCCN(C(=O)c2ccc(Cl)c(N3CCOCC3)c2)C1.
What is the InChIKey of 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is ULZFKWHTDTXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-27(2)23(31)24(21-6-3-4-10-26-21)9-5-11-29(17-24)22(30)18-7-8-19(25)20(16-18)28-12-14-32-15-13-28/h3-4,6-8,10,16H,5,9,11-15,17H2,1-2H3.
What are the key properties of 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?
1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 456.97 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 175659313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).