1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea

C16H26N4S — CID 133154592

IUPAC1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea
SMILESCCC1CCCCN1CCCNC(=S)Nc1cccnc1
InChIInChI=1S/C16H26N4S/c1-2-15-8-3-4-11-20(15)12-6-10-18-16(21)19-14-7-5-9-17-13-14/h5,7,9,13,15H,2-4,6,8,10-12H2,1H3,(H2,18,19,21)
InChIKeyQOVGJKXGQKICOT-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.02
Rot. Bonds6

About 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea

1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea (PubChem CID 133154592) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea
PubChem CID133154592
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea
SMILESCCC1CCCCN1CCCNC(=S)Nc1cccnc1
InChIInChI=1S/C16H26N4S/c1-2-15-8-3-4-11-20(15)12-6-10-18-16(21)19-14-7-5-9-17-13-14/h5,7,9,13,15H,2-4,6,8,10-12H2,1H3,(H2,18,19,21)
InChIKeyQOVGJKXGQKICOT-UHFFFAOYSA-N
XLogP3.02
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea 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-[3-(2-ethylpiperidin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 133154590
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100685707
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100686822
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(2-fluorophenyl)thiourea
CID 100686060
1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100686423
1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100686869
1-[4-(cyanomethyl)phenyl]-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100686164
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100686796
1-[3-(2-ethylpiperidin-1-yl)propyl]-3-[3-[methyl(methylsulfonyl)amino]phenyl]thiourea
CID 133154559
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100686363
1-(4-bromo-3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100686441

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea?
The IUPAC name of 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea (CID 133154592) is 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea is CCC1CCCCN1CCCNC(=S)Nc1cccnc1.
What is the InChIKey of 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea?
The InChIKey is QOVGJKXGQKICOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-2-15-8-3-4-11-20(15)12-6-10-18-16(21)19-14-7-5-9-17-13-14/h5,7,9,13,15H,2-4,6,8,10-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea?
1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea has a molecular weight of 306.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea is sourced from PubChem (CID 133154592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).