1-benzamido-3-piperidin-1-ylthiourea

C13H18N4OS — CID 95931584

IUPAC1-benzamido-3-piperidin-1-ylthiourea
SMILESO=C(NNC(=S)NN1CCCCC1)c1ccccc1
InChIInChI=1S/C13H18N4OS/c18-12(11-7-3-1-4-8-11)14-15-13(19)16-17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,18)(H2,15,16,19)
InChIKeyRDOOMNIABRIOCE-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.20
Rot. Bonds2

About 1-benzamido-3-piperidin-1-ylthiourea

1-benzamido-3-piperidin-1-ylthiourea (PubChem CID 95931584) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-benzamido-3-piperidin-1-ylthiourea.

Molecular Properties

Compound Name1-benzamido-3-piperidin-1-ylthiourea
PubChem CID95931584
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-benzamido-3-piperidin-1-ylthiourea
SMILESO=C(NNC(=S)NN1CCCCC1)c1ccccc1
InChIInChI=1S/C13H18N4OS/c18-12(11-7-3-1-4-8-11)14-15-13(19)16-17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,18)(H2,15,16,19)
InChIKeyRDOOMNIABRIOCE-UHFFFAOYSA-N
XLogP1.20
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.20
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-benzamido-3-morpholin-4-ylthiourea
CID 95931415
N-(4-oxopiperidin-1-yl)benzamide
CID 57261442
1-(azepan-1-yl)-3-benzylthiourea
CID 1280764
1-benzamido-3-tert-butylthiourea
CID 2743091
benzamidothiourea
CID 781748
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
1-benzyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 26837613
N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide
CID 732498
N-phenyl-N'-piperidin-1-yloxamide
CID 67261205
benzyl N-piperidin-1-ylcarbamate
CID 3770567
1-(2-fluorophenyl)-3-piperidin-1-ylthiourea
CID 8624603
2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
CID 114199832

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-piperidin-1-ylthiourea?
The IUPAC name of 1-benzamido-3-piperidin-1-ylthiourea (CID 95931584) is 1-benzamido-3-piperidin-1-ylthiourea.
What is the SMILES notation for 1-benzamido-3-piperidin-1-ylthiourea?
The canonical SMILES for 1-benzamido-3-piperidin-1-ylthiourea is O=C(NNC(=S)NN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-benzamido-3-piperidin-1-ylthiourea?
The InChIKey is RDOOMNIABRIOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c18-12(11-7-3-1-4-8-11)14-15-13(19)16-17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,18)(H2,15,16,19).
What are the key properties of 1-benzamido-3-piperidin-1-ylthiourea?
1-benzamido-3-piperidin-1-ylthiourea has a molecular weight of 278.38 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-piperidin-1-ylthiourea is sourced from PubChem (CID 95931584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).