N-(4-methoxyphenyl)piperidine-1-carbothioamide

C13H18N2OS — CID 883440

IUPACN-(4-methoxyphenyl)piperidine-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2OS/c1-16-12-7-5-11(6-8-12)14-13(17)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,17)
InChIKeyDTXWVCRTRFEZQK-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.88
Rot. Bonds2

About N-(4-methoxyphenyl)piperidine-1-carbothioamide

N-(4-methoxyphenyl)piperidine-1-carbothioamide (PubChem CID 883440) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)piperidine-1-carbothioamide
PubChem CID883440
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(4-methoxyphenyl)piperidine-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2OS/c1-16-12-7-5-11(6-8-12)14-13(17)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,17)
InChIKeyDTXWVCRTRFEZQK-UHFFFAOYSA-N
XLogP2.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
CID 1257728
N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide
CID 4683668
N-(4-ethylphenyl)azocane-1-carbothioamide
CID 2545029
N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide
CID 123262554
4-benzoyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 2460838
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 17199308
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
CID 175001605
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
4-[(4-cyanophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 8658135

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)piperidine-1-carbothioamide?
The IUPAC name of N-(4-methoxyphenyl)piperidine-1-carbothioamide (CID 883440) is N-(4-methoxyphenyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(4-methoxyphenyl)piperidine-1-carbothioamide?
The canonical SMILES for N-(4-methoxyphenyl)piperidine-1-carbothioamide is COc1ccc(NC(=S)N2CCCCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)piperidine-1-carbothioamide?
The InChIKey is DTXWVCRTRFEZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-16-12-7-5-11(6-8-12)14-13(17)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,17).
What are the key properties of N-(4-methoxyphenyl)piperidine-1-carbothioamide?
N-(4-methoxyphenyl)piperidine-1-carbothioamide has a molecular weight of 250.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)piperidine-1-carbothioamide is sourced from PubChem (CID 883440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).