N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C19H22N4O — CID 53005520

IUPACN-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C19H22N4O/c24-19(22-16-6-7-16)15-8-10-23(11-9-15)18-12-17(20-13-21-18)14-4-2-1-3-5-14/h1-5,12-13,15-16H,6-11H2,(H,22,24)
InChIKeyLNRFDPCRDHJDDT-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.64
Rot. Bonds4

About N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53005520) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53005520
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C19H22N4O/c24-19(22-16-6-7-16)15-8-10-23(11-9-15)18-12-17(20-13-21-18)14-4-2-1-3-5-14/h1-5,12-13,15-16H,6-11H2,(H,22,24)
InChIKeyLNRFDPCRDHJDDT-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53026718
N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519003
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062028
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 90518968
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519089
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 53005520) is N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is LNRFDPCRDHJDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(22-16-6-7-16)15-8-10-23(11-9-15)18-12-17(20-13-21-18)14-4-2-1-3-5-14/h1-5,12-13,15-16H,6-11H2,(H,22,24).
What are the key properties of N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53005520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).