2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide

C14H29N3O — CID 43435262

IUPAC2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide
SMILESCCC(CC)CNC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C14H29N3O/c1-4-12(5-2)10-16-13-6-8-17(9-7-13)11-14(18)15-3/h12-13,16H,4-11H2,1-3H3,(H,15,18)
InChIKeyJTVPHNQNWSCUJD-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds7

About 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide

2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide (PubChem CID 43435262) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide
PubChem CID43435262
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide
SMILESCCC(CC)CNC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C14H29N3O/c1-4-12(5-2)10-16-13-6-8-17(9-7-13)11-14(18)15-3/h12-13,16H,4-11H2,1-3H3,(H,15,18)
InChIKeyJTVPHNQNWSCUJD-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-(2-methylpentylamino)piperidin-1-yl]acetamide
CID 43691410
2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
CID 107441533
2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
CID 43691450
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
N-methyl-2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]piperidin-1-yl]acetamide
CID 43691453
3-(cyclopropylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60866717
2-[4-(heptan-3-ylamino)piperidin-1-yl]-N-methylacetamide
CID 63944334
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide (CID 43435262) is 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide is CCC(CC)CNC1CCN(CC(=O)NC)CC1.
What is the InChIKey of 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide?
The InChIKey is JTVPHNQNWSCUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-12(5-2)10-16-13-6-8-17(9-7-13)11-14(18)15-3/h12-13,16H,4-11H2,1-3H3,(H,15,18).
What are the key properties of 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide?
2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 43435262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).