4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide

C14H17Cl3N2O — CID 114428009

IUPAC4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C14H17Cl3N2O/c1-2-8-3-4-18-12(5-8)14(20)19-13-10(16)6-9(15)7-11(13)17/h6-8,12,18H,2-5H2,1H3,(H,19,20)
InChIKeyPKESGJUUBDPQNX-UHFFFAOYSA-N
MW335.66 g/mol
LogP4.36
Rot. Bonds3

About 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide

4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide (PubChem CID 114428009) has the molecular formula C14H17Cl3N2O and a molecular weight of 335.66 g/mol. Its IUPAC name is 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
PubChem CID114428009
Molecular FormulaC14H17Cl3N2O
Molecular Weight335.66 g/mol
Exact Mass334.04
IUPAC Name4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C14H17Cl3N2O/c1-2-8-3-4-18-12(5-8)14(20)19-13-10(16)6-9(15)7-11(13)17/h6-8,12,18H,2-5H2,1H3,(H,19,20)
InChIKeyPKESGJUUBDPQNX-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427824
N-(2-chloro-6-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114429222
N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114429344
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002
N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
CID 114428363
N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114428835
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 114428301
4-ethyl-N-(1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 114428961
N-(2,3-dimethylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427932
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 114429036

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide (CID 114428009) is 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide?
The InChIKey is PKESGJUUBDPQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O/c1-2-8-3-4-18-12(5-8)14(20)19-13-10(16)6-9(15)7-11(13)17/h6-8,12,18H,2-5H2,1H3,(H,19,20).
What are the key properties of 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide?
4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide has a molecular weight of 335.66 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 114428009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).