N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide

C17H25ClN2O — CID 63130733

IUPACN-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCC1(C(=O)N(C)C(C)c2ccccc2Cl)CCCNC1
InChIInChI=1S/C17H25ClN2O/c1-4-17(10-7-11-19-12-17)16(21)20(3)13(2)14-8-5-6-9-15(14)18/h5-6,8-9,13,19H,4,7,10-12H2,1-3H3
InChIKeyNXUWCGMOUIZKNT-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.64
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide

N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide (PubChem CID 63130733) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide
PubChem CID63130733
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCC1(C(=O)N(C)C(C)c2ccccc2Cl)CCCNC1
InChIInChI=1S/C17H25ClN2O/c1-4-17(10-7-11-19-12-17)16(21)20(3)13(2)14-8-5-6-9-15(14)18/h5-6,8-9,13,19H,4,7,10-12H2,1-3H3
InChIKeyNXUWCGMOUIZKNT-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81172128
(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568555
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
CID 63130128
N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80592129
N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
3-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63131429
3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63130194
3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
CID 112659335
3-ethyl-N-(2-hydroxycyclohexyl)-N-methylpiperidine-3-carboxamide
CID 102632063

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide (CID 63130733) is N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide is CCC1(C(=O)N(C)C(C)c2ccccc2Cl)CCCNC1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide?
The InChIKey is NXUWCGMOUIZKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-17(10-7-11-19-12-17)16(21)20(3)13(2)14-8-5-6-9-15(14)18/h5-6,8-9,13,19H,4,7,10-12H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63130733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).