1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide

C19H24N4O — CID 75479408

IUPAC1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c24-18(22-19-20-11-5-12-21-19)17-9-14-23(15-10-17)13-4-8-16-6-2-1-3-7-16/h1-3,5-7,11-12,17H,4,8-10,13-15H2,(H,20,21,22,24)
InChIKeyBEAUXXZQFDTQIP-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.76
Rot. Bonds6

About 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 75479408) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID75479408
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c24-18(22-19-20-11-5-12-21-19)17-9-14-23(15-10-17)13-4-8-16-6-2-1-3-7-16/h1-3,5-7,11-12,17H,4,8-10,13-15H2,(H,20,21,22,24)
InChIKeyBEAUXXZQFDTQIP-UHFFFAOYSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479402
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479953
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 96582167
N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 45220804
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 75479408) is 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(Nc1ncccn1)C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is BEAUXXZQFDTQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-18(22-19-20-11-5-12-21-19)17-9-14-23(15-10-17)13-4-8-16-6-2-1-3-7-16/h1-3,5-7,11-12,17H,4,8-10,13-15H2,(H,20,21,22,24).
What are the key properties of 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75479408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).