N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide

C13H19N3O2S — CID 55177786

IUPACN-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2sccc2C(N)=O)CCNCC1
InChIInChI=1S/C13H19N3O2S/c1-2-13(4-6-15-7-5-13)12(18)16-11-9(10(14)17)3-8-19-11/h3,8,15H,2,4-7H2,1H3,(H2,14,17)(H,16,18)
InChIKeyGDJKZMDIXAGVLD-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.57
Rot. Bonds4

About N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide

N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide (PubChem CID 55177786) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
PubChem CID55177786
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2sccc2C(N)=O)CCNCC1
InChIInChI=1S/C13H19N3O2S/c1-2-13(4-6-15-7-5-13)12(18)16-11-9(10(14)17)3-8-19-11/h3,8,15H,2,4-7H2,1H3,(H2,14,17)(H,16,18)
InChIKeyGDJKZMDIXAGVLD-UHFFFAOYSA-N
XLogP1.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide
CID 63135299
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
CID 115435197
N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127964
N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide
CID 63128122
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 79702062
4-ethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 63127778
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 8514010
5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid
CID 63128962
ethyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]thiophene-3-carboxylate
CID 115439460

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide (CID 55177786) is N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)Nc2sccc2C(N)=O)CCNCC1.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is GDJKZMDIXAGVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-13(4-6-15-7-5-13)12(18)16-11-9(10(14)17)3-8-19-11/h3,8,15H,2,4-7H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide?
N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 55177786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).