N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C18H21ClN4O2 — CID 46377894

IUPACN-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C18H21ClN4O2/c1-12-7-8-20-18(21-12)23-9-3-4-13(11-23)17(24)22-15-10-14(19)5-6-16(15)25-2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,22,24)
InChIKeyBACSENJBVURNLR-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.30
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 46377894) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID46377894
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C18H21ClN4O2/c1-12-7-8-20-18(21-12)23-9-3-4-13(11-23)17(24)22-15-10-14(19)5-6-16(15)25-2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,22,24)
InChIKeyBACSENJBVURNLR-UHFFFAOYSA-N
XLogP3.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-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 N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 46377894) is N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCCN(c2nccc(C)n2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is BACSENJBVURNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-12-7-8-20-18(21-12)23-9-3-4-13(11-23)17(24)22-15-10-14(19)5-6-16(15)25-2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46377894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).