N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide

C15H28N2O2S — CID 138580345

IUPACN-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)CSC(C)C)CC1
InChIInChI=1S/C15H28N2O2S/c1-4-5-8-16-15(19)13-6-9-17(10-7-13)14(18)11-20-12(2)3/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyLTBVGHBRBMTHPL-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.28
Rot. Bonds7

About N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide

N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide (PubChem CID 138580345) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide
PubChem CID138580345
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)CSC(C)C)CC1
InChIInChI=1S/C15H28N2O2S/c1-4-5-8-16-15(19)13-6-9-17(10-7-13)14(18)11-20-12(2)3/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyLTBVGHBRBMTHPL-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.28
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

3-Thiomorpholinone, 2,2-diethyl-
CID 95099
1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
CID 155289205
(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 61174564
2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide
CID 155289206
1-{2-[(Diethylamino)thioxomethylthio]acetyl}piperidine-4-carboxamide
CID 1863658
1-(2-(cyclopentylthio)acetyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676883
1-N,1-N-diethyl-4-N-(2-sulfanylethyl)piperidine-1,4-dicarboxamide
CID 177680288
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]acetamide
CID 60607432
2-Piperidin-4-yl-1-(1,4-thiazepan-4-yl)ethanone
CID 61419530
N-cyclopropyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxamide
CID 71873713
1-[(2R)-2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
CID 40151220
1-[(2S)-2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
CID 40151221

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide (CID 138580345) is N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)CSC(C)C)CC1.
What is the InChIKey of N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The InChIKey is LTBVGHBRBMTHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-4-5-8-16-15(19)13-6-9-17(10-7-13)14(18)11-20-12(2)3/h12-13H,4-11H2,1-3H3,(H,16,19).
What are the key properties of N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide?
N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide has a molecular weight of 300.47 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-propan-2-ylsulfanylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 138580345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).