N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide

C20H28N2O — CID 47082202

IUPACN-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCCN(Cc2ccccc2)C1)C1CC=CCC1
InChIInChI=1S/C20H28N2O/c23-20(19-11-5-2-6-12-19)21-14-18-10-7-13-22(16-18)15-17-8-3-1-4-9-17/h1-5,8-9,18-19H,6-7,10-16H2,(H,21,23)
InChIKeyTUADSHGSRJLZLJ-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.37
Rot. Bonds5

About N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide

N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 47082202) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID47082202
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCCN(Cc2ccccc2)C1)C1CC=CCC1
InChIInChI=1S/C20H28N2O/c23-20(19-11-5-2-6-12-19)21-14-18-10-7-13-22(16-18)15-17-8-3-1-4-9-17/h1-5,8-9,18-19H,6-7,10-16H2,(H,21,23)
InChIKeyTUADSHGSRJLZLJ-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877677
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 47082202) is N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1CCCN(Cc2ccccc2)C1)C1CC=CCC1.
What is the InChIKey of N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is TUADSHGSRJLZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c23-20(19-11-5-2-6-12-19)21-14-18-10-7-13-22(16-18)15-17-8-3-1-4-9-17/h1-5,8-9,18-19H,6-7,10-16H2,(H,21,23).
What are the key properties of N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 47082202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).