N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C19H24N4O — CID 53035331

IUPACN-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCc3ccccc3C)C2)n1
InChIInChI=1S/C19H24N4O/c1-14-6-3-4-7-16(14)12-21-18(24)17-8-5-11-23(13-17)19-20-10-9-15(2)22-19/h3-4,6-7,9-10,17H,5,8,11-13H2,1-2H3,(H,21,24)
InChIKeyUDKMRONRBCOEKM-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.63
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 53035331) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID53035331
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCc3ccccc3C)C2)n1
InChIInChI=1S/C19H24N4O/c1-14-6-3-4-7-16(14)12-21-18(24)17-8-5-11-23(13-17)19-20-10-9-15(2)22-19/h3-4,6-7,9-10,17H,5,8,11-13H2,1-2H3,(H,21,24)
InChIKeyUDKMRONRBCOEKM-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-4-carboxamide
CID 53102218
N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595
(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055787
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
1-(4-methylpyrimidin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 53102070
(3S)-N-[(3-bromophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95056440
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95082401
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53031048
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
1-(4-methylpyrimidin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53102086

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 53035331) is N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)NCc3ccccc3C)C2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is UDKMRONRBCOEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-6-3-4-7-16(14)12-21-18(24)17-8-5-11-23(13-17)19-20-10-9-15(2)22-19/h3-4,6-7,9-10,17H,5,8,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 53035331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).