1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide

C13H17BrN2O2S — CID 60777066

IUPAC1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C13H17BrN2O2S/c1-2-15-12(17)9-3-6-16(7-4-9)13(18)11-10(14)5-8-19-11/h5,8-9H,2-4,6-7H2,1H3,(H,15,17)
InChIKeyRVRZAYDMVBCXNO-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.50
Rot. Bonds3

About 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide

1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide (PubChem CID 60777066) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
PubChem CID60777066
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC Name1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C13H17BrN2O2S/c1-2-15-12(17)9-3-6-16(7-4-9)13(18)11-10(14)5-8-19-11/h5,8-9H,2-4,6-7H2,1H3,(H,15,17)
InChIKeyRVRZAYDMVBCXNO-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 113223577
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone;hydrochloride
CID 119519075
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
[4-(2-bromoethoxy)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone
CID 82701558
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide (CID 60777066) is 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)c2sccc2Br)CC1.
What is the InChIKey of 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide?
The InChIKey is RVRZAYDMVBCXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c1-2-15-12(17)9-3-6-16(7-4-9)13(18)11-10(14)5-8-19-11/h5,8-9H,2-4,6-7H2,1H3,(H,15,17).
What are the key properties of 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide?
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide has a molecular weight of 345.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 60777066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).