N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide

C26H35N3O — CID 129105414

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H35N3O/c30-26(29-19-14-25(15-20-29)24-9-5-2-6-10-24)27-16-11-22-12-17-28(18-13-22)21-23-7-3-1-4-8-23/h1-10,22,25H,11-21H2,(H,27,30)
InChIKeyZARINMNMTKXVDX-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.88
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 129105414) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide
PubChem CID129105414
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H35N3O/c30-26(29-19-14-25(15-20-29)24-9-5-2-6-10-24)27-16-11-22-12-17-28(18-13-22)21-23-7-3-1-4-8-23/h1-10,22,25H,11-21H2,(H,27,30)
InChIKeyZARINMNMTKXVDX-UHFFFAOYSA-N
XLogP4.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N,4-dibenzhydrylpiperazine-1-carboxamide
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5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
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CID 69218851

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide (CID 129105414) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is ZARINMNMTKXVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c30-26(29-19-14-25(15-20-29)24-9-5-2-6-10-24)27-16-11-22-12-17-28(18-13-22)21-23-7-3-1-4-8-23/h1-10,22,25H,11-21H2,(H,27,30).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 405.59 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 129105414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).