1-(3-phenoxypropanoyl)piperidine-4-carbothioamide

C15H20N2O2S — CID 39400729

IUPAC1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2S/c16-15(20)12-6-9-17(10-7-12)14(18)8-11-19-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,16,20)
InChIKeyHWNIGSUDXHFBOL-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.98
Rot. Bonds5

About 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide

1-(3-phenoxypropanoyl)piperidine-4-carbothioamide (PubChem CID 39400729) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
PubChem CID39400729
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2S/c16-15(20)12-6-9-17(10-7-12)14(18)8-11-19-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,16,20)
InChIKeyHWNIGSUDXHFBOL-UHFFFAOYSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
3-phenoxy-1-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 56543111
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide?
The IUPAC name of 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide (CID 39400729) is 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide.
What is the SMILES notation for 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide?
The canonical SMILES for 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide is NC(=S)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide?
The InChIKey is HWNIGSUDXHFBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-15(20)12-6-9-17(10-7-12)14(18)8-11-19-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,16,20).
What are the key properties of 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide?
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide has a molecular weight of 292.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropanoyl)piperidine-4-carbothioamide is sourced from PubChem (CID 39400729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).