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

C21H28ClN3O2S — CID 119558045

IUPACN-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC(Cc1ccccc1)C(=O)NCCC1CCCNC1)c1cccs1
InChIInChI=1S/C21H27N3O2S.ClH/c25-20(23-12-10-17-8-4-11-22-15-17)18(14-16-6-2-1-3-7-16)24-21(26)19-9-5-13-27-19;/h1-3,5-7,9,13,17-18,22H,4,8,10-12,14-15H2,(H,23,25)(H,24,26);1H
InChIKeyMHNCOKVWNONCOR-UHFFFAOYSA-N
MW421.99 g/mol
LogP3.02
Rot. Bonds8

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

N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119558045) has the molecular formula C21H28ClN3O2S and a molecular weight of 421.99 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID119558045
Molecular FormulaC21H28ClN3O2S
Molecular Weight421.99 g/mol
Exact Mass421.16
IUPAC NameN-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC(Cc1ccccc1)C(=O)NCCC1CCCNC1)c1cccs1
InChIInChI=1S/C21H27N3O2S.ClH/c25-20(23-12-10-17-8-4-11-22-15-17)18(14-16-6-2-1-3-7-16)24-21(26)19-9-5-13-27-19;/h1-3,5-7,9,13,17-18,22H,4,8,10-12,14-15H2,(H,23,25)(H,24,26);1H
InChIKeyMHNCOKVWNONCOR-UHFFFAOYSA-N
XLogP3.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.99
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 120553712
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride
CID 119462989
N-[4-methylsulfanyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide;hydrochloride
CID 119556197
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
CID 119557038
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462
2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555725
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 119558045) is N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(NC(Cc1ccccc1)C(=O)NCCC1CCCNC1)c1cccs1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is MHNCOKVWNONCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S.ClH/c25-20(23-12-10-17-8-4-11-22-15-17)18(14-16-6-2-1-3-7-16)24-21(26)19-9-5-13-27-19;/h1-3,5-7,9,13,17-18,22H,4,8,10-12,14-15H2,(H,23,25)(H,24,26);1H.
What are the key properties of N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 421.99 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119558045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).