1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea

C15H21N3OS — CID 86759511

IUPAC1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
SMILESCNC(=S)Nc1cccc(C(=O)C2CCN(C)CC2)c1
InChIInChI=1S/C15H21N3OS/c1-16-15(20)17-13-5-3-4-12(10-13)14(19)11-6-8-18(2)9-7-11/h3-5,10-11H,6-9H2,1-2H3,(H2,16,17,20)
InChIKeyFPTSXCFERXPRCE-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.13
Rot. Bonds3

About 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea

1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea (PubChem CID 86759511) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
PubChem CID86759511
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
SMILESCNC(=S)Nc1cccc(C(=O)C2CCN(C)CC2)c1
InChIInChI=1S/C15H21N3OS/c1-16-15(20)17-13-5-3-4-12(10-13)14(19)11-6-8-18(2)9-7-11/h3-5,10-11H,6-9H2,1-2H3,(H2,16,17,20)
InChIKeyFPTSXCFERXPRCE-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide
CID 160998989
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,5-trifluorophenyl)thiourea;sulfo hydrogen sulfate
CID 87797044
1-(aminomethyl)-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-phenylthiourea
CID 174366758
cyclopentyl-[3-(methylamino)phenyl]methanone
CID 116917362
[3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone
CID 87797066
1-[3-(4-tert-butylbenzoyl)phenyl]-3-(1-methylpiperidin-4-yl)thiourea
CID 100754936
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea
CID 69353611
[3-(2-fluoroanilino)phenyl]-(1-methylpiperidin-4-yl)methanone;(1-methylpiperidin-4-yl)-[3-[2-(trifluoromethoxy)anilino]phenyl]methanone
CID 162621763
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,4,5-tetrafluorophenyl)urea;octanoic acid
CID 87796576
N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 916714
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-(3,4,5-trifluorophenyl)thiourea
CID 87796707
1-(3-methylphenyl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
CID 57083305

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea?
The IUPAC name of 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea (CID 86759511) is 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea.
What is the SMILES notation for 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea?
The canonical SMILES for 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea is CNC(=S)Nc1cccc(C(=O)C2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea?
The InChIKey is FPTSXCFERXPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-16-15(20)17-13-5-3-4-12(10-13)14(19)11-6-8-18(2)9-7-11/h3-5,10-11H,6-9H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea?
1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea has a molecular weight of 291.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea is sourced from PubChem (CID 86759511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).