2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide

C14H18N2OS — CID 82179408

IUPAC2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C14H18N2OS/c15-13(18)10-11-6-2-3-7-12(11)14(17)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2,(H2,15,18)
InChIKeyYQQPRYAKYUTMBY-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.14
Rot. Bonds3

About 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide

2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide (PubChem CID 82179408) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide
PubChem CID82179408
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C14H18N2OS/c15-13(18)10-11-6-2-3-7-12(11)14(17)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2,(H2,15,18)
InChIKeyYQQPRYAKYUTMBY-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.14
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

2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]ethanethioamide
CID 94805632
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 13041721
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-(piperidine-1-carbonyl)phenolate
CID 101121314
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
2-(4-oxo-4-piperidin-1-ylbutyl)benzamide
CID 173169536
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide?
The IUPAC name of 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide (CID 82179408) is 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide.
What is the SMILES notation for 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide?
The canonical SMILES for 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide is NC(=S)Cc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide?
The InChIKey is YQQPRYAKYUTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-13(18)10-11-6-2-3-7-12(11)14(17)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2,(H2,15,18).
What are the key properties of 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide?
2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide has a molecular weight of 262.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide is sourced from PubChem (CID 82179408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).