2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide

C15H31N3O — CID 107163609

IUPAC2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNCC1(C)CCN(C)CC1
InChIInChI=1S/C15H31N3O/c1-13(2)5-8-17-14(19)11-16-12-15(3)6-9-18(4)10-7-15/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeyDYQRKIFFFFCXNN-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.47
Rot. Bonds7

About 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide

2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide (PubChem CID 107163609) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide
PubChem CID107163609
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNCC1(C)CCN(C)CC1
InChIInChI=1S/C15H31N3O/c1-13(2)5-8-17-14(19)11-16-12-15(3)6-9-18(4)10-7-15/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeyDYQRKIFFFFCXNN-UHFFFAOYSA-N
XLogP1.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-methyl-1-piperidinyl)acetamide hydrochloride
CID 2959553
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
1-(4-(Aminomethyl)piperidin-1-yl)ethan-1-one
CID 12687022
N-(piperidin-4-ylmethyl)acetamide
CID 4341747
N-(2-(4-Piperidinyl)ethyl)acetamide
CID 4712038
(6S)-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 45281051
(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 16745935
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
N-((1-methylpiperidin-4-yl)methyl)pivalamide
CID 16895339
N-(2-methylbutyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853580
N-(3,3-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 49853674

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide (CID 107163609) is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CNCC1(C)CCN(C)CC1.
What is the InChIKey of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is DYQRKIFFFFCXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)5-8-17-14(19)11-16-12-15(3)6-9-18(4)10-7-15/h13,16H,5-12H2,1-4H3,(H,17,19).
What are the key properties of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide?
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 107163609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).