1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride

C21H34ClN3O2S — CID 119757737

IUPAC1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(CC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C21H33N3O2S.ClH/c1-16(17-4-9-22-10-5-17)15-20(25)24-12-7-18(8-13-24)21(26)23-11-6-19-3-2-14-27-19;/h2-3,14,16-18,22H,4-13,15H2,1H3,(H,23,26);1H
InChIKeyYFOXRQPHUZIJDH-UHFFFAOYSA-N
MW428.04 g/mol
LogP3.09
Rot. Bonds7

About 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride

1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119757737) has the molecular formula C21H34ClN3O2S and a molecular weight of 428.04 g/mol. Its IUPAC name is 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119757737
Molecular FormulaC21H34ClN3O2S
Molecular Weight428.04 g/mol
Exact Mass427.21
IUPAC Name1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(CC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C21H33N3O2S.ClH/c1-16(17-4-9-22-10-5-17)15-20(25)24-12-7-18(8-13-24)21(26)23-11-6-19-3-2-14-27-19;/h2-3,14,16-18,22H,4-13,15H2,1H3,(H,23,26);1H
InChIKeyYFOXRQPHUZIJDH-UHFFFAOYSA-N
XLogP3.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.04
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride 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

1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
CID 119692632
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761
N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
CID 86863889
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599884
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride (CID 119757737) is 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride is CC(CC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)C1CCNCC1.Cl.
What is the InChIKey of 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is YFOXRQPHUZIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2S.ClH/c1-16(17-4-9-22-10-5-17)15-20(25)24-12-7-18(8-13-24)21(26)23-11-6-19-3-2-14-27-19;/h2-3,14,16-18,22H,4-13,15H2,1H3,(H,23,26);1H.
What are the key properties of 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride?
1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 428.04 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119757737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).