N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide

C16H23ClN2O — CID 81379266

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)N[C@@H](C)c2ccccc2Cl)CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-3-16(8-10-18-11-9-16)15(20)19-12(2)13-6-4-5-7-14(13)17/h4-7,12,18H,3,8-11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyVBRGLFLDRGLCDT-LBPRGKRZSA-N
MW294.83 g/mol
LogP3.30
Rot. Bonds4

About N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide (PubChem CID 81379266) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
PubChem CID81379266
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)N[C@@H](C)c2ccccc2Cl)CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-3-16(8-10-18-11-9-16)15(20)19-12(2)13-6-4-5-7-14(13)17/h4-7,12,18H,3,8-11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyVBRGLFLDRGLCDT-LBPRGKRZSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 63129157
N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128584
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63141842
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81375337
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943839
N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
CID 63130128
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide (CID 81379266) is N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)N[C@@H](C)c2ccccc2Cl)CCNCC1.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
The InChIKey is VBRGLFLDRGLCDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-16(8-10-18-11-9-16)15(20)19-12(2)13-6-4-5-7-14(13)17/h4-7,12,18H,3,8-11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 81379266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).