N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

C20H24N4O — CID 20972451

IUPACN-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(-c2cnc(N3CCC(C(=O)NC4CC4)CC3)nc2)c1
InChIInChI=1S/C20H24N4O/c1-14-3-2-4-16(11-14)17-12-21-20(22-13-17)24-9-7-15(8-10-24)19(25)23-18-5-6-18/h2-4,11-13,15,18H,5-10H2,1H3,(H,23,25)
InChIKeyOHEDWKKPXYEDII-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.95
Rot. Bonds4

About N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 20972451) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID20972451
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(-c2cnc(N3CCC(C(=O)NC4CC4)CC3)nc2)c1
InChIInChI=1S/C20H24N4O/c1-14-3-2-4-16(11-14)17-12-21-20(22-13-17)24-9-7-15(8-10-24)19(25)23-18-5-6-18/h2-4,11-13,15,18H,5-10H2,1H3,(H,23,25)
InChIKeyOHEDWKKPXYEDII-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 53010327
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
CID 53107235
N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53107274
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53010355
N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53010331
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 53146288
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107339
(3S)-N-(3-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085592

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 20972451) is N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is Cc1cccc(-c2cnc(N3CCC(C(=O)NC4CC4)CC3)nc2)c1.
What is the InChIKey of N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is OHEDWKKPXYEDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-3-2-4-16(11-14)17-12-21-20(22-13-17)24-9-7-15(8-10-24)19(25)23-18-5-6-18/h2-4,11-13,15,18H,5-10H2,1H3,(H,23,25).
What are the key properties of N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20972451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).