N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide

C14H21ClN2OS — CID 114428229

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)c2ccc(Cl)s2)C1
InChIInChI=1S/C14H21ClN2OS/c1-3-10-6-7-16-11(8-10)14(18)17-9(2)12-4-5-13(15)19-12/h4-5,9-11,16H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyUYWNDMHKEWUOGY-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide (PubChem CID 114428229) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide
PubChem CID114428229
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)c2ccc(Cl)s2)C1
InChIInChI=1S/C14H21ClN2OS/c1-3-10-6-7-16-11(8-10)14(18)17-9(2)12-4-5-13(15)19-12/h4-5,9-11,16H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyUYWNDMHKEWUOGY-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705073
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119287384
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 43705040
4-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104921952
4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104921936
N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide
CID 114428187
4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide
CID 114429111
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067368
4-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 114428064
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 114998144

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide (CID 114428229) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)NC(C)c2ccc(Cl)s2)C1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide?
The InChIKey is UYWNDMHKEWUOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-3-10-6-7-16-11(8-10)14(18)17-9(2)12-4-5-13(15)19-12/h4-5,9-11,16H,3,6-8H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide has a molecular weight of 300.86 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114428229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).