2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide

C20H27N3O2S — CID 54786669

IUPAC2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H27N3O2S/c24-18(14-15-6-2-3-7-15)22-20(26)21-17-10-8-16(9-11-17)19(25)23-12-4-1-5-13-23/h8-11,15H,1-7,12-14H2,(H2,21,22,24,26)
InChIKeyCMXKAKMGDHAUJP-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.71
Rot. Bonds4

About 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide

2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide (PubChem CID 54786669) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
PubChem CID54786669
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H27N3O2S/c24-18(14-15-6-2-3-7-15)22-20(26)21-17-10-8-16(9-11-17)19(25)23-12-4-1-5-13-23/h8-11,15H,1-7,12-14H2,(H2,21,22,24,26)
InChIKeyCMXKAKMGDHAUJP-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168099
N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168019
N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
CID 54786593
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-cyclopentylacetamide
CID 54786796
2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
CID 54786281
N-butan-2-yl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
CID 54786736
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 17199308
N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]octanamide
CID 17196671
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 54786631
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
cyclopentyl-[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]azanium
CID 7406351

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide (CID 54786669) is 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide is O=C(CC1CCCC1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide?
The InChIKey is CMXKAKMGDHAUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c24-18(14-15-6-2-3-7-15)22-20(26)21-17-10-8-16(9-11-17)19(25)23-12-4-1-5-13-23/h8-11,15H,1-7,12-14H2,(H2,21,22,24,26).
What are the key properties of 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide?
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 54786669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).