N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C18H22N4O — CID 3221429

IUPACN-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H22N4O/c23-17(19-12-9-15-6-2-1-3-7-15)16-8-4-13-22(14-16)18-20-10-5-11-21-18/h1-3,5-7,10-11,16H,4,8-9,12-14H2,(H,19,23)
InChIKeyCHKHOIRNIICLAK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.05
Rot. Bonds5

About N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3221429) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3221429
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H22N4O/c23-17(19-12-9-15-6-2-1-3-7-15)16-8-4-13-22(14-16)18-20-10-5-11-21-18/h1-3,5-7,10-11,16H,4,8-9,12-14H2,(H,19,23)
InChIKeyCHKHOIRNIICLAK-UHFFFAOYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 134802244
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 70770161
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034906
1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 71795251
N-(2-phenylethyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104048
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3221429) is N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is CHKHOIRNIICLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17(19-12-9-15-6-2-1-3-7-15)16-8-4-13-22(14-16)18-20-10-5-11-21-18/h1-3,5-7,10-11,16H,4,8-9,12-14H2,(H,19,23).
What are the key properties of N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3221429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).