1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea

C17H25N3S — CID 48926076

IUPAC1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea
SMILESCCc1cccc(N2CCC(NC(=S)NC3CC3)CC2)c1
InChIInChI=1S/C17H25N3S/c1-2-13-4-3-5-16(12-13)20-10-8-15(9-11-20)19-17(21)18-14-6-7-14/h3-5,12,14-15H,2,6-11H2,1H3,(H2,18,19,21)
InChIKeyOAHVORLGYFSHSP-UHFFFAOYSA-N
MW303.48 g/mol
LogP2.84
Rot. Bonds4

About 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea

1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea (PubChem CID 48926076) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea
PubChem CID48926076
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea
SMILESCCc1cccc(N2CCC(NC(=S)NC3CC3)CC2)c1
InChIInChI=1S/C17H25N3S/c1-2-13-4-3-5-16(12-13)20-10-8-15(9-11-20)19-17(21)18-14-6-7-14/h3-5,12,14-15H,2,6-11H2,1H3,(H2,18,19,21)
InChIKeyOAHVORLGYFSHSP-UHFFFAOYSA-N
XLogP2.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethylphenyl)-N-methylpiperidin-4-amine
CID 43315435
1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione
CID 143169930
N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
CID 102814279
N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 49132886
4-(3-ethylphenyl)-1-hydroxy-1-methylpiperazin-1-ium
CID 145226331
1-[3-(methoxymethyl)phenyl]-N-methylpiperidin-4-amine
CID 54965277
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
(3R)-1-(3-ethylphenyl)-N-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 30787471
(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911
1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea
CID 9095149

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea (CID 48926076) is 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea is CCc1cccc(N2CCC(NC(=S)NC3CC3)CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea?
The InChIKey is OAHVORLGYFSHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-13-4-3-5-16(12-13)20-10-8-15(9-11-20)19-17(21)18-14-6-7-14/h3-5,12,14-15H,2,6-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea?
1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea has a molecular weight of 303.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea is sourced from PubChem (CID 48926076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).