2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide

C15H31N3O — CID 114507947

IUPAC2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC1CN(CC(=O)NC(C)(C)CC)CCC1NC
InChIInChI=1S/C15H31N3O/c1-6-12-10-18(9-8-13(12)16-5)11-14(19)17-15(3,4)7-2/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyGOMHYZGDTBXZAA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds6

About 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 114507947) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID114507947
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC1CN(CC(=O)NC(C)(C)CC)CCC1NC
InChIInChI=1S/C15H31N3O/c1-6-12-10-18(9-8-13(12)16-5)11-14(19)17-15(3,4)7-2/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyGOMHYZGDTBXZAA-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155
3-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 114507762
2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62655401
3-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507781
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203
ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60673370
2-(3-ethyl-4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 114511071
3-[3-ethyl-4-(methylamino)piperidin-1-yl]propan-1-ol
CID 114507793

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 114507947) is 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC1CN(CC(=O)NC(C)(C)CC)CCC1NC.
What is the InChIKey of 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is GOMHYZGDTBXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-12-10-18(9-8-13(12)16-5)11-14(19)17-15(3,4)7-2/h12-13,16H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 114507947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).