N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide

C28H33N5O — CID 53010355

IUPACN-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C28H33N5O/c34-27(31-26-13-15-32(16-14-26)21-22-7-3-1-4-8-22)24-11-17-33(18-12-24)28-29-19-25(20-30-28)23-9-5-2-6-10-23/h1-10,19-20,24,26H,11-18,21H2,(H,31,34)
InChIKeyDPAYMJAMLGFHAT-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.14
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53010355) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53010355
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C28H33N5O/c34-27(31-26-13-15-32(16-14-26)21-22-7-3-1-4-8-22)24-11-17-33(18-12-24)28-29-19-25(20-30-28)23-9-5-2-6-10-23/h1-10,19-20,24,26H,11-18,21H2,(H,31,34)
InChIKeyDPAYMJAMLGFHAT-UHFFFAOYSA-N
XLogP4.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
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CID 2729529
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53026718
N-(1-benzylpiperidin-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857763
N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 20972451
N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929263
1-benzylsulfonyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 55721872
N-(1-benzylpiperidin-4-yl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522832
N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358353
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
N-cyclopropyl-1-[(4-phenylpyrazol-1-yl)methyl]piperidine-4-carboxamide
CID 51097163

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53010355) is N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is DPAYMJAMLGFHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c34-27(31-26-13-15-32(16-14-26)21-22-7-3-1-4-8-22)24-11-17-33(18-12-24)28-29-19-25(20-30-28)23-9-5-2-6-10-23/h1-10,19-20,24,26H,11-18,21H2,(H,31,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 4.14, 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-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53010355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).