2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C25H40N4O2S — CID 42842812

IUPAC2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C25H40N4O2S/c1-20-8-4-5-13-27(20)14-7-12-26-24(30)23(21-9-2-3-10-21)28-15-17-29(18-16-28)25(31)22-11-6-19-32-22/h6,11,19-21,23H,2-5,7-10,12-18H2,1H3,(H,26,30)
InChIKeyZSYVLLYHFJGBGW-UHFFFAOYSA-N
MW460.69 g/mol
LogP3.45
Rot. Bonds8

About 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 42842812) has the molecular formula C25H40N4O2S and a molecular weight of 460.69 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID42842812
Molecular FormulaC25H40N4O2S
Molecular Weight460.69 g/mol
Exact Mass460.29
IUPAC Name2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C25H40N4O2S/c1-20-8-4-5-13-27(20)14-7-12-26-24(30)23(21-9-2-3-10-21)28-15-17-29(18-16-28)25(31)22-11-6-19-32-22/h6,11,19-21,23H,2-5,7-10,12-18H2,1H3,(H,26,30)
InChIKeyZSYVLLYHFJGBGW-UHFFFAOYSA-N
XLogP3.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.69
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46024838
N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51221587
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24719212
(2R)-2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93210434
2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 46024650
N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9473547
2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842497
(2R)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208441
(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208442
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024749
(2R)-2-cyclopentyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93209207
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 42842812) is 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is CC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ZSYVLLYHFJGBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2S/c1-20-8-4-5-13-27(20)14-7-12-26-24(30)23(21-9-2-3-10-21)28-15-17-29(18-16-28)25(31)22-11-6-19-32-22/h6,11,19-21,23H,2-5,7-10,12-18H2,1H3,(H,26,30).
What are the key properties of 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 460.69 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42842812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).