1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea

C14H27N3S — CID 971669

IUPAC1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea
SMILESCCCN1CCC(NC(=S)NC2CCCC2)CC1
InChIInChI=1S/C14H27N3S/c1-2-9-17-10-7-13(8-11-17)16-14(18)15-12-5-3-4-6-12/h12-13H,2-11H2,1H3,(H2,15,16,18)
InChIKeyCHZFMHNJPQBOFK-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.27
Rot. Bonds4

About 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea

1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea (PubChem CID 971669) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea
PubChem CID971669
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea
SMILESCCCN1CCC(NC(=S)NC2CCCC2)CC1
InChIInChI=1S/C14H27N3S/c1-2-9-17-10-7-13(8-11-17)16-14(18)15-12-5-3-4-6-12/h12-13H,2-11H2,1H3,(H2,15,16,18)
InChIKeyCHZFMHNJPQBOFK-UHFFFAOYSA-N
XLogP2.27
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea 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

N-cyclohexylpiperidine-1-carbothioamide
CID 2725476
1-Butyl-3-cyclopentylthiourea
CID 1975194
1-Butyltetrahydro-2(1H)-pyrimidinethione
CID 3000716
1-Cyclopentyl-3-propylthiourea
CID 5039833
1-Cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea
CID 970803
(1-Methylpiperidin-4-yl)thiourea
CID 23041969
N-cyclopentyl-3-methyl-1-piperidinecarbothioamide
CID 2945994
(Cyclohexylamino)(2-ethylpiperidyl)methane-1-thione
CID 4534164
3-Cyclohexyl-1,1-diethylthiourea
CID 727203
5-Cyclopentyl-1,3,5-triazinane-2-thione
CID 2824035
1-Cyclohexyl-1,3-diazinane-2-thione
CID 2806812
N-methyl-N'-[2-(1-piperidinyl)ethyl]thiourea
CID 859062

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea (CID 971669) is 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea is CCCN1CCC(NC(=S)NC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea?
The InChIKey is CHZFMHNJPQBOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-2-9-17-10-7-13(8-11-17)16-14(18)15-12-5-3-4-6-12/h12-13H,2-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea?
1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea has a molecular weight of 269.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea is sourced from PubChem (CID 971669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).