2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone

C15H31N3O — CID 130426463

IUPAC2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone
SMILESCCC(C)(CC)NC1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-6-15(3,7-2)16-13-8-10-18(11-9-13)14(19)12-17(4)5/h13,16H,6-12H2,1-5H3
InChIKeyLWXSVGWJQATBIK-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.71
Rot. Bonds6

About 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone (PubChem CID 130426463) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone
PubChem CID130426463
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone
SMILESCCC(C)(CC)NC1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-6-15(3,7-2)16-13-8-10-18(11-9-13)14(19)12-17(4)5/h13,16H,6-12H2,1-5H3
InChIKeyLWXSVGWJQATBIK-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone
CID 170895884
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N,N-dimethyl-4-(2,4,4-trimethylpentan-2-ylamino)piperidine-1-carboxamide
CID 83262362
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
4-(2,2-dimethylpropanoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 3694430
3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one
CID 65269716
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 62637512
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 76895179
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone (CID 130426463) is 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone is CCC(C)(CC)NC1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone?
The InChIKey is LWXSVGWJQATBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-15(3,7-2)16-13-8-10-18(11-9-13)14(19)12-17(4)5/h13,16H,6-12H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone has a molecular weight of 269.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 130426463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).