3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide

C12H25N3O — CID 64677785

IUPAC3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
SMILESCCN1CCCC(NC(=O)CC(C)(C)N)C1
InChIInChI=1S/C12H25N3O/c1-4-15-7-5-6-10(9-15)14-11(16)8-12(2,3)13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyNMEGRHLRJBOUBY-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds4

About 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide

3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide (PubChem CID 64677785) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
PubChem CID64677785
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
SMILESCCN1CCCC(NC(=O)CC(C)(C)N)C1
InChIInChI=1S/C12H25N3O/c1-4-15-7-5-6-10(9-15)14-11(16)8-12(2,3)13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyNMEGRHLRJBOUBY-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605280
6-amino-N-(1-ethylpiperidin-3-yl)-4,4-dimethylhexanamide
CID 65292402
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 104677930
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381
2-(2-amino-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62800166
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
2-hydroxyethyl N-(1-ethylpiperidin-3-yl)carbamate
CID 79348890
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide
CID 64747634

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide (CID 64677785) is 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide is CCN1CCCC(NC(=O)CC(C)(C)N)C1.
What is the InChIKey of 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide?
The InChIKey is NMEGRHLRJBOUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15-7-5-6-10(9-15)14-11(16)8-12(2,3)13/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide?
3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 64677785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).