[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea

C14H19N3OS — CID 169356775

IUPAC[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
SMILESCC1CCN(C(=O)c2ccccc2NC(N)=S)CC1
InChIInChI=1S/C14H19N3OS/c1-10-6-8-17(9-7-10)13(18)11-4-2-3-5-12(11)16-14(15)19/h2-5,10H,6-9H2,1H3,(H3,15,16,19)
InChIKeyDCTGUGBKDDOEJV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.21
Rot. Bonds2

About [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea

[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea (PubChem CID 169356775) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea.

Molecular Properties

Compound Name[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
PubChem CID169356775
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
SMILESCC1CCN(C(=O)c2ccccc2NC(N)=S)CC1
InChIInChI=1S/C14H19N3OS/c1-10-6-8-17(9-7-10)13(18)11-4-2-3-5-12(11)16-14(15)19/h2-5,10H,6-9H2,1H3,(H3,15,16,19)
InChIKeyDCTGUGBKDDOEJV-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.21
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-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119711788
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4939517
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
2-[2-(4-methylpiperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607156
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2,2-diphenylacetamide
CID 4939344
(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62235507
3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 4934492
(E)-3-(4-chlorophenyl)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 17195744
(E)-3-(4-methoxyphenyl)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 6234600
2-(4-acetamidophenyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 87030997
4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077257

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea?
The IUPAC name of [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea (CID 169356775) is [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea.
What is the SMILES notation for [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea?
The canonical SMILES for [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea is CC1CCN(C(=O)c2ccccc2NC(N)=S)CC1.
What is the InChIKey of [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea?
The InChIKey is DCTGUGBKDDOEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-6-8-17(9-7-10)13(18)11-4-2-3-5-12(11)16-14(15)19/h2-5,10H,6-9H2,1H3,(H3,15,16,19).
What are the key properties of [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea?
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea has a molecular weight of 277.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea is sourced from PubChem (CID 169356775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).