1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea

C16H24N4OS — CID 3806020

IUPAC1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4OS/c1-2-17-16(22)19-18-15(21)14-8-10-20(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyWAWWCVNYBJNRAU-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.41
Rot. Bonds4

About 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea

1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea (PubChem CID 3806020) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea
PubChem CID3806020
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4OS/c1-2-17-16(22)19-18-15(21)14-8-10-20(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyWAWWCVNYBJNRAU-UHFFFAOYSA-N
XLogP1.41
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea?
The IUPAC name of 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea (CID 3806020) is 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea.
What is the SMILES notation for 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea?
The canonical SMILES for 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea is CCNC(=S)NNC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea?
The InChIKey is WAWWCVNYBJNRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-2-17-16(22)19-18-15(21)14-8-10-20(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,21)(H2,17,19,22).
What are the key properties of 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea?
1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea has a molecular weight of 320.46 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea is sourced from PubChem (CID 3806020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).