2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one

C16H29N3O2 — CID 71047048

IUPAC2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@H](NCC(=O)N2CCC[C@H]2C)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)16(21)18-8-5-7-14(11-18)17-10-15(20)19-9-4-6-13(19)3/h12-14,17H,4-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyMVHLGQSSRSBIOM-KGLIPLIRSA-N
MW295.43 g/mol
LogP1.23
Rot. Bonds4

About 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one

2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one (PubChem CID 71047048) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one
PubChem CID71047048
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@H](NCC(=O)N2CCC[C@H]2C)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)16(21)18-8-5-7-14(11-18)17-10-15(20)19-9-4-6-13(19)3/h12-14,17H,4-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyMVHLGQSSRSBIOM-KGLIPLIRSA-N
XLogP1.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
2-(cyclopentylamino)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040519
1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 131945464
2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 131894675
(3R)-3-(dimethylsulfamoylamino)-1-(2-methylpropanoyl)piperidine
CID 125447905
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594
2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995807
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one (CID 71047048) is 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC[C@H](NCC(=O)N2CCC[C@H]2C)C1.
What is the InChIKey of 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is MVHLGQSSRSBIOM-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)16(21)18-8-5-7-14(11-18)17-10-15(20)19-9-4-6-13(19)3/h12-14,17H,4-11H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one?
2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 295.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71047048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).