1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide

C18H22N4O — CID 75479402

IUPAC1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c23-17(21-18-19-10-4-11-20-18)16-8-13-22(14-9-16)12-7-15-5-2-1-3-6-15/h1-6,10-11,16H,7-9,12-14H2,(H,19,20,21,23)
InChIKeyUHDUFVZHCOTDMX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.37
Rot. Bonds5

About 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 75479402) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID75479402
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c23-17(21-18-19-10-4-11-20-18)16-8-13-22(14-9-16)12-7-15-5-2-1-3-6-15/h1-6,10-11,16H,7-9,12-14H2,(H,19,20,21,23)
InChIKeyUHDUFVZHCOTDMX-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479408
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479953
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
phenyl 1-(2-phenylethyl)piperidine-4-carboxylate
CID 102339946
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 47056452
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
CID 10429616
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 75479402) is 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(Nc1ncccn1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is UHDUFVZHCOTDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17(21-18-19-10-4-11-20-18)16-8-13-22(14-9-16)12-7-15-5-2-1-3-6-15/h1-6,10-11,16H,7-9,12-14H2,(H,19,20,21,23).
What are the key properties of 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75479402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).