1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide

C19H28N2O2S — CID 38572415

IUPAC1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCCSc2ccccc2)CC1
InChIInChI=1S/C19H28N2O2S/c1-15(2)19(23)21-12-9-16(10-13-21)18(22)20-11-6-14-24-17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,22)
InChIKeySTUYFKBWZBSABE-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.18
Rot. Bonds7

About 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide (PubChem CID 38572415) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
PubChem CID38572415
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCCSc2ccccc2)CC1
InChIInChI=1S/C19H28N2O2S/c1-15(2)19(23)21-12-9-16(10-13-21)18(22)20-11-6-14-24-17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,22)
InChIKeySTUYFKBWZBSABE-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32795265
(3S)-1-(2-methylpropyl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 37081636
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide
CID 42063342
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
1-methyl-N-(3-phenylsulfanylpropyl)azepane-2-carboxamide
CID 72913227
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
CID 95322166
1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38975761
1-(2-methylpropanoyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 33105504
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720641

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide (CID 38572415) is 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCCCSc2ccccc2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide?
The InChIKey is STUYFKBWZBSABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-15(2)19(23)21-12-9-16(10-13-21)18(22)20-11-6-14-24-17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,22).
What are the key properties of 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 38572415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).