N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C29H35N5O — CID 53026718

IUPACN-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)ncn2)cc1
InChIInChI=1S/C29H35N5O/c1-22-7-9-24(10-8-22)27-19-28(31-21-30-27)34-17-11-25(12-18-34)29(35)32-26-13-15-33(16-14-26)20-23-5-3-2-4-6-23/h2-10,19,21,25-26H,11-18,20H2,1H3,(H,32,35)
InChIKeyKXDAEIBLRZPFAK-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.45
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53026718) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53026718
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)ncn2)cc1
InChIInChI=1S/C29H35N5O/c1-22-7-9-24(10-8-22)27-19-28(31-21-30-27)34-17-11-25(12-18-34)29(35)32-26-13-15-33(16-14-26)20-23-5-3-2-4-6-23/h2-10,19,21,25-26H,11-18,20H2,1H3,(H,32,35)
InChIKeyKXDAEIBLRZPFAK-UHFFFAOYSA-N
XLogP4.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53010355
N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929263
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062142
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-(3-chlorophenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062148
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53062120
N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358353
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53026718) is N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1ccc(-c2cc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)ncn2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is KXDAEIBLRZPFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-22-7-9-24(10-8-22)27-19-28(31-21-30-27)34-17-11-25(12-18-34)29(35)32-26-13-15-33(16-14-26)20-23-5-3-2-4-6-23/h2-10,19,21,25-26H,11-18,20H2,1H3,(H,32,35).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53026718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).