N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C19H23N5O2 — CID 3223397

IUPACN-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-9-10-20-19(21-13)24-11-3-4-15(12-24)18(26)23-17-7-5-16(6-8-17)22-14(2)25/h5-10,15H,3-4,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyXOMCMHLMHODLAQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.60
Rot. Bonds4

About N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3223397) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3223397
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-9-10-20-19(21-13)24-11-3-4-15(12-24)18(26)23-17-7-5-16(6-8-17)22-14(2)25/h5-10,15H,3-4,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyXOMCMHLMHODLAQ-UHFFFAOYSA-N
XLogP2.60
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
(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
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 23609722
1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3223401
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595
(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 124765449

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3223397) is N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is XOMCMHLMHODLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-9-10-20-19(21-13)24-11-3-4-15(12-24)18(26)23-17-7-5-16(6-8-17)22-14(2)25/h5-10,15H,3-4,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3223397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).