4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

C15H31N3O — CID 115157150

IUPAC4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCN1CCC(CCN(C)C(=O)C(C)(C)CCN)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,8-9-16)14(19)18(4)12-7-13-5-10-17(3)11-6-13/h13H,5-12,16H2,1-4H3
InChIKeyOSNKYTYLCFMOPD-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds6

About 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (PubChem CID 115157150) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
PubChem CID115157150
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCN1CCC(CCN(C)C(=O)C(C)(C)CCN)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,8-9-16)14(19)18(4)12-7-13-5-10-17(3)11-6-13/h13H,5-12,16H2,1-4H3
InChIKeyOSNKYTYLCFMOPD-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,2-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 115152812
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115169549
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
3-amino-N-(2-cyclobutylethyl)-N,2,2-trimethylpropanamide
CID 115154782
6-amino-N,4,4-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 65291673
4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 115157046
N-(hydrazinylmethyl)-N-methyl-2-(1-methylpiperidin-4-yl)ethanamine
CID 115261373
(2Z)-2-amino-2-(aminohydrazinylidene)-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 144649723
4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide
CID 115157078
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158360
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (CID 115157150) is 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is CN1CCC(CCN(C)C(=O)C(C)(C)CCN)CC1.
What is the InChIKey of 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is OSNKYTYLCFMOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,8-9-16)14(19)18(4)12-7-13-5-10-17(3)11-6-13/h13H,5-12,16H2,1-4H3.
What are the key properties of 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 115157150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).