N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C19H24N4O — CID 53102218

IUPACN-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCc3ccccc3C)CC2)n1
InChIInChI=1S/C19H24N4O/c1-14-5-3-4-6-17(14)13-21-18(24)16-8-11-23(12-9-16)19-20-10-7-15(2)22-19/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,21,24)
InChIKeyOUUDUUMAONOKKJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.63
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53102218) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53102218
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCc3ccccc3C)CC2)n1
InChIInChI=1S/C19H24N4O/c1-14-5-3-4-6-17(14)13-21-18(24)16-8-11-23(12-9-16)19-20-10-7-15(2)22-19/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,21,24)
InChIKeyOUUDUUMAONOKKJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107339
1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 78852537
1-(4-methylpyrimidin-2-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95082439
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
N-[3-(azepan-1-yl)butyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102221
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 20892983
1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 53202097
1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 78890379
1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 78892410
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 94618620

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53102218) is N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NCc3ccccc3C)CC2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is OUUDUUMAONOKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-5-3-4-6-17(14)13-21-18(24)16-8-11-23(12-9-16)19-20-10-7-15(2)22-19/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53102218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).