N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride

C17H28ClN3O2S — CID 119558012

IUPACN-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H27N3O2S.ClH/c1-12(2)15(20-16(21)14-6-4-10-23-14)17(22)19-9-7-13-5-3-8-18-11-13;/h4,6,10,12-13,15,18H,3,5,7-9,11H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyVZVCGIJPDWADBK-UHFFFAOYSA-N
MW373.95 g/mol
LogP2.43
Rot. Bonds7

About N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride

N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119558012) has the molecular formula C17H28ClN3O2S and a molecular weight of 373.95 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID119558012
Molecular FormulaC17H28ClN3O2S
Molecular Weight373.95 g/mol
Exact Mass373.16
IUPAC NameN-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H27N3O2S.ClH/c1-12(2)15(20-16(21)14-6-4-10-23-14)17(22)19-9-7-13-5-3-8-18-11-13;/h4,6,10,12-13,15,18H,3,5,7-9,11H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyVZVCGIJPDWADBK-UHFFFAOYSA-N
XLogP2.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558045
N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119513122
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120944367
N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
CID 119557038
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
CID 119558164
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
CID 119558247
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
N-[1-(3-cyclohexyloxypropylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613206
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119534796

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 119558012) is N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride is CC(C)C(NC(=O)c1cccs1)C(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is VZVCGIJPDWADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S.ClH/c1-12(2)15(20-16(21)14-6-4-10-23-14)17(22)19-9-7-13-5-3-8-18-11-13;/h4,6,10,12-13,15,18H,3,5,7-9,11H2,1-2H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride?
N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 373.95 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119558012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).