N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C23H24N4O — CID 53033911

IUPACN-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C23H24N4O/c28-23(25-16-18-8-3-1-4-9-18)20-12-7-15-27(17-20)21-13-14-24-22(26-21)19-10-5-2-6-11-19/h1-6,8-11,13-14,20H,7,12,15-17H2,(H,25,28)
InChIKeyULSODLIJUVCCCR-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.68
Rot. Bonds5

About N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide

N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 53033911) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID53033911
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C23H24N4O/c28-23(25-16-18-8-3-1-4-9-18)20-12-7-15-27(17-20)21-13-14-24-22(26-21)19-10-5-2-6-11-19/h1-6,8-11,13-14,20H,7,12,15-17H2,(H,25,28)
InChIKeyULSODLIJUVCCCR-UHFFFAOYSA-N
XLogP3.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071449
(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055768
(3S)-N-(3-phenylpropyl)-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95070038
(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055787
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055755
(3S)-N-[(4-bromophenyl)methyl]-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 93065835
N-[(4-bromophenyl)methyl]-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006582
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
(3R)-N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069851
(3S)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide
CID 95069972
N-[3-(N-methylanilino)propyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071435
(3S)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95055741

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 53033911) is N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(NCc1ccccc1)C1CCCN(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is ULSODLIJUVCCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(25-16-18-8-3-1-4-9-18)20-12-7-15-27(17-20)21-13-14-24-22(26-21)19-10-5-2-6-11-19/h1-6,8-11,13-14,20H,7,12,15-17H2,(H,25,28).
What are the key properties of N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53033911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).