N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C19H23ClN4O3 — CID 53102048

IUPACN-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCCN(c3nccc(C)n3)C2)c(OC)c1
InChIInChI=1S/C19H23ClN4O3/c1-12-6-7-21-19(22-12)24-8-4-5-13(11-24)18(25)23-17-15(20)9-14(26-2)10-16(17)27-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,23,25)
InChIKeyRMFINPCXXCQGDJ-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.31
Rot. Bonds5

About N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 53102048) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID53102048
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCCN(c3nccc(C)n3)C2)c(OC)c1
InChIInChI=1S/C19H23ClN4O3/c1-12-6-7-21-19(22-12)24-8-4-5-13(11-24)18(25)23-17-15(20)9-14(26-2)10-16(17)27-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,23,25)
InChIKeyRMFINPCXXCQGDJ-UHFFFAOYSA-N
XLogP3.31
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3223401
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
(3S)-N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452724
N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223412
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 23609722
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 53102048) is N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is COc1cc(Cl)c(NC(=O)C2CCCN(c3nccc(C)n3)C2)c(OC)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is RMFINPCXXCQGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12-6-7-21-19(22-12)24-8-4-5-13(11-24)18(25)23-17-15(20)9-14(26-2)10-16(17)27-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,23,25).
What are the key properties of N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53102048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).