1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

C26H30N4O — CID 53062051

IUPAC1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C26H30N4O/c1-19(2)21-10-8-20(9-11-21)17-27-26(31)23-12-14-30(15-13-23)25-16-24(28-18-29-25)22-6-4-3-5-7-22/h3-11,16,18-19,23H,12-15,17H2,1-2H3,(H,27,31)
InChIKeyKIRJVVWXXVXXMJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.80
Rot. Bonds6

About 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 53062051) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID53062051
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C26H30N4O/c1-19(2)21-10-8-20(9-11-21)17-27-26(31)23-12-14-30(15-13-23)25-16-24(28-18-29-25)22-6-4-3-5-7-22/h3-11,16,18-19,23H,12-15,17H2,1-2H3,(H,27,31)
InChIKeyKIRJVVWXXVXXMJ-UHFFFAOYSA-N
XLogP4.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062124
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 90518968
N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519003
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 53062035
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 53062051) is 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)c1ccc(CNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1.
What is the InChIKey of 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KIRJVVWXXVXXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-19(2)21-10-8-20(9-11-21)17-27-26(31)23-12-14-30(15-13-23)25-16-24(28-18-29-25)22-6-4-3-5-7-22/h3-11,16,18-19,23H,12-15,17H2,1-2H3,(H,27,31).
What are the key properties of 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53062051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).