(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide

C15H27N3O2 — CID 120621777

IUPAC(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCCCC2)CCN1
InChIInChI=1S/C15H27N3O2/c1-12-11-13(5-7-16-12)15(20)17-8-6-14(19)18-9-3-2-4-10-18/h12-13,16H,2-11H2,1H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyUPPKRELHIRXALD-STQMWFEESA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds4

About (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 120621777) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID120621777
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCCCC2)CCN1
InChIInChI=1S/C15H27N3O2/c1-12-11-13(5-7-16-12)15(20)17-8-6-14(19)18-9-3-2-4-10-18/h12-13,16H,2-11H2,1H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyUPPKRELHIRXALD-STQMWFEESA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 106740605
(2S,4S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629082
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975723
(2S,4S)-2-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 120636357
N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119310932
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide
CID 61249088
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 115747522

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide (CID 120621777) is (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCCCC2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is UPPKRELHIRXALD-STQMWFEESA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-11-13(5-7-16-12)15(20)17-8-6-14(19)18-9-3-2-4-10-18/h12-13,16H,2-11H2,1H3,(H,17,20)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 120621777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).