N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide

C15H22N2O2S — CID 78795052

IUPACN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
SMILESCCC1CCCCN1C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-2-12-6-3-4-10-17(12)14(18)8-9-16-15(19)13-7-5-11-20-13/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,16,19)
InChIKeyMZROZUWYEGUAMX-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.66
Rot. Bonds5

About N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 78795052) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID78795052
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
SMILESCCC1CCCCN1C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-2-12-6-3-4-10-17(12)14(18)8-9-16-15(19)13-7-5-11-20-13/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,16,19)
InChIKeyMZROZUWYEGUAMX-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 31797256
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 122083803
N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 42932762
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 51192558
N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide
CID 55669946
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
[(2R)-2-ethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27244606
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide (CID 78795052) is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide is CCC1CCCCN1C(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is MZROZUWYEGUAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-12-6-3-4-10-17(12)14(18)8-9-16-15(19)13-7-5-11-20-13/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,16,19).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 78795052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).