1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide

C19H27ClN2O — CID 762873

IUPAC1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O/c1-4-22(13-15(2)3)19(23)17-9-11-21(12-10-17)14-16-5-7-18(20)8-6-16/h5-8,17H,2,4,9-14H2,1,3H3
InChIKeyQJLSIOQSJLBXHR-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.98
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide (PubChem CID 762873) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
PubChem CID762873
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O/c1-4-22(13-15(2)3)19(23)17-9-11-21(12-10-17)14-16-5-7-18(20)8-6-16/h5-8,17H,2,4,9-14H2,1,3H3
InChIKeyQJLSIOQSJLBXHR-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide (CID 762873) is 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide is C=C(C)CN(CC)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The InChIKey is QJLSIOQSJLBXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-4-22(13-15(2)3)19(23)17-9-11-21(12-10-17)14-16-5-7-18(20)8-6-16/h5-8,17H,2,4,9-14H2,1,3H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide has a molecular weight of 334.89 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 762873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).