N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide

C16H22Cl2N2O — CID 63128584

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C16H22Cl2N2O/c1-3-16(6-8-19-9-7-16)15(21)20-11(2)12-4-5-13(17)14(18)10-12/h4-5,10-11,19H,3,6-9H2,1-2H3,(H,20,21)
InChIKeyQOQHRCQAWMXEKV-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.95
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide

N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide (PubChem CID 63128584) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
PubChem CID63128584
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C16H22Cl2N2O/c1-3-16(6-8-19-9-7-16)15(21)20-11(2)12-4-5-13(17)14(18)10-12/h4-5,10-11,19H,3,6-9H2,1-2H3,(H,20,21)
InChIKeyQOQHRCQAWMXEKV-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
CID 63122554
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 134014985
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
CID 81404117
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide (CID 63128584) is N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)CCNCC1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
The InChIKey is QOQHRCQAWMXEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-3-16(6-8-19-9-7-16)15(21)20-11(2)12-4-5-13(17)14(18)10-12/h4-5,10-11,19H,3,6-9H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63128584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).