1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea

C16H21N3OS — CID 92519828

IUPAC1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
SMILESO=C(c1ccccc1)N1CCC(NC(=S)NC2CC2)CC1
InChIInChI=1S/C16H21N3OS/c20-15(12-4-2-1-3-5-12)19-10-8-14(9-11-19)18-16(21)17-13-6-7-13/h1-5,13-14H,6-11H2,(H2,17,18,21)
InChIKeyCHXCRYTXIWNQKU-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.92
Rot. Bonds3

About 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea

1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea (PubChem CID 92519828) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
PubChem CID92519828
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
SMILESO=C(c1ccccc1)N1CCC(NC(=S)NC2CC2)CC1
InChIInChI=1S/C16H21N3OS/c20-15(12-4-2-1-3-5-12)19-10-8-14(9-11-19)18-16(21)17-13-6-7-13/h1-5,13-14H,6-11H2,(H2,17,18,21)
InChIKeyCHXCRYTXIWNQKU-UHFFFAOYSA-N
XLogP1.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.92
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

N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
1-(1-benzoylpiperidin-4-yl)-3-(4-phenoxyphenyl)thiourea
CID 92519825
1-(1-benzoylpiperidin-4-yl)-3-(3,4-dimethylphenyl)thiourea
CID 92519816
1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea
CID 92519812
1-(1-benzoylpiperidin-4-yl)-3-(2,4-dimethylphenyl)thiourea
CID 92519823
1-(1-benzoylpiperidin-4-yl)-3-(2,5-dimethylphenyl)thiourea
CID 94472172
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
N-(cyclopropylcarbamothioyl)benzamide
CID 3620996
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea?
The IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea (CID 92519828) is 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea.
What is the SMILES notation for 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea?
The canonical SMILES for 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea is O=C(c1ccccc1)N1CCC(NC(=S)NC2CC2)CC1.
What is the InChIKey of 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea?
The InChIKey is CHXCRYTXIWNQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-15(12-4-2-1-3-5-12)19-10-8-14(9-11-19)18-16(21)17-13-6-7-13/h1-5,13-14H,6-11H2,(H2,17,18,21).
What are the key properties of 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea?
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea has a molecular weight of 303.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea is sourced from PubChem (CID 92519828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).