2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone

C10H20N2O — CID 131045839

IUPAC2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)CN(C)C)C1
InChIInChI=1S/C10H20N2O/c1-9-5-4-6-12(7-9)10(13)8-11(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyDTYIRNLKZDXEGZ-VIFPVBQESA-N
MW184.28 g/mol
LogP0.81
Rot. Bonds2

About 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone

2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 131045839) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID131045839
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)CN(C)C)C1
InChIInChI=1S/C10H20N2O/c1-9-5-4-6-12(7-9)10(13)8-11(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyDTYIRNLKZDXEGZ-VIFPVBQESA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55096796
(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide
CID 129414224
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016
2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 107203920
N-(2-methoxyethyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113159876
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 71911978
3-methylpiperidine-1-carboxylic acid
CID 22047728
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 131045839) is 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone is C[C@H]1CCCN(C(=O)CN(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is DTYIRNLKZDXEGZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O/c1-9-5-4-6-12(7-9)10(13)8-11(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 184.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 131045839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).