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

C27H34N4O — CID 129105213

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C27H34N4O/c28-22-27(25-9-5-2-6-10-25)14-19-31(20-15-27)26(32)29-16-11-23-12-17-30(18-13-23)21-24-7-3-1-4-8-24/h1-10,23H,11-21H2,(H,29,32)
InChIKeyPGEUSRPOJIJYHP-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.56
Rot. Bonds6

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide (PubChem CID 129105213) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide
PubChem CID129105213
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C27H34N4O/c28-22-27(25-9-5-2-6-10-25)14-19-31(20-15-27)26(32)29-16-11-23-12-17-30(18-13-23)21-24-7-3-1-4-8-24/h1-10,23H,11-21H2,(H,29,32)
InChIKeyPGEUSRPOJIJYHP-UHFFFAOYSA-N
XLogP4.56
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393428
1-Benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 3217188
3-Benzyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-methyl-urea
CID 44392229
N'-Benzyl-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-ethylurea
CID 44392244
1-[[4-(3-Cyanophenyl)phenyl]methyl]-3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]urea
CID 44437497
1-[[4-(3-Cyanophenyl)phenyl]methyl]-1-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]-3-propan-2-ylurea
CID 44437519
1-[2-[1-[(4-Methylphenyl)methyl]piperidin-4-yl]ethyl]-1-[(4-phenylphenyl)methyl]-3-propan-2-ylurea
CID 44437520
1-(1-Benzylpiperidin-4-yl)-3-[3-[[(1-benzylpiperidin-4-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]urea
CID 44533118
N,4-dibenzylpiperidine-1-carboxamide
CID 3688820
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
CID 129105176
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-fluorophenyl)piperidine-1-carboxamide
CID 129105239
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide
CID 129105316

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide (CID 129105213) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide is N#CC1(c2ccccc2)CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide?
The InChIKey is PGEUSRPOJIJYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c28-22-27(25-9-5-2-6-10-25)14-19-31(20-15-27)26(32)29-16-11-23-12-17-30(18-13-23)21-24-7-3-1-4-8-24/h1-10,23H,11-21H2,(H,29,32).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 129105213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).