1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone

C15H29N3O — CID 115276891

IUPAC1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone
SMILESCN1CCCC(CC(=O)N2CCC(C)(C)C(N)C2)C1
InChIInChI=1S/C15H29N3O/c1-15(2)6-8-18(11-13(15)16)14(19)9-12-5-4-7-17(3)10-12/h12-13H,4-11,16H2,1-3H3
InChIKeyBUGNABPYLXZJMJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds2

About 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone

1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone (PubChem CID 115276891) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone
PubChem CID115276891
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone
SMILESCN1CCCC(CC(=O)N2CCC(C)(C)C(N)C2)C1
InChIInChI=1S/C15H29N3O/c1-15(2)6-8-18(11-13(15)16)14(19)9-12-5-4-7-17(3)10-12/h12-13H,4-11,16H2,1-3H3
InChIKeyBUGNABPYLXZJMJ-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone (CID 115276891) is 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone is CN1CCCC(CC(=O)N2CCC(C)(C)C(N)C2)C1.
What is the InChIKey of 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone?
The InChIKey is BUGNABPYLXZJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2)6-8-18(11-13(15)16)14(19)9-12-5-4-7-17(3)10-12/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone?
1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone is sourced from PubChem (CID 115276891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).