N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C29H28N4O — CID 90519003

IUPACN-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C29H28N4O/c34-29(32-28(23-12-6-2-7-13-23)24-14-8-3-9-15-24)25-16-18-33(19-17-25)27-20-26(30-21-31-27)22-10-4-1-5-11-22/h1-15,20-21,25,28H,16-19H2,(H,32,34)
InChIKeyRXPUWEJBXUXSFC-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.27
Rot. Bonds6

About N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 90519003) has the molecular formula C29H28N4O and a molecular weight of 448.57 g/mol. Its IUPAC name is N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID90519003
Molecular FormulaC29H28N4O
Molecular Weight448.57 g/mol
Exact Mass448.23
IUPAC NameN-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C29H28N4O/c34-29(32-28(23-12-6-2-7-13-23)24-14-8-3-9-15-24)25-16-18-33(19-17-25)27-20-26(30-21-31-27)22-10-4-1-5-11-22/h1-15,20-21,25,28H,16-19H2,(H,32,34)
InChIKeyRXPUWEJBXUXSFC-UHFFFAOYSA-N
XLogP5.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062051
N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519089
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062028
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 90518968
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 90519003) is N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is RXPUWEJBXUXSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O/c34-29(32-28(23-12-6-2-7-13-23)24-14-8-3-9-15-24)25-16-18-33(19-17-25)27-20-26(30-21-31-27)22-10-4-1-5-11-22/h1-15,20-21,25,28H,16-19H2,(H,32,34).
What are the key properties of N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90519003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).