N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane

C13H29N3O — CID 142327055

IUPACN-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane
SMILESCC.CC(C)CC(=O)NC1CCN(C)CC1N
InChIInChI=1S/C11H23N3O.C2H6/c1-8(2)6-11(15)13-10-4-5-14(3)7-9(10)12;1-2/h8-10H,4-7,12H2,1-3H3,(H,13,15);1-2H3
InChIKeyFCRQGWLMKGIAPW-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds3

About N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane

N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane (PubChem CID 142327055) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane.

Molecular Properties

Compound NameN-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane
PubChem CID142327055
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane
SMILESCC.CC(C)CC(=O)NC1CCN(C)CC1N
InChIInChI=1S/C11H23N3O.C2H6/c1-8(2)6-11(15)13-10-4-5-14(3)7-9(10)12;1-2/h8-10H,4-7,12H2,1-3H3,(H,13,15);1-2H3
InChIKeyFCRQGWLMKGIAPW-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)butanamide
CID 77259572
3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 115748935
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-3-methylbutanamide
CID 115267741
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
2-(1-aminocyclopentyl)-N-(1,3-dimethylpiperidin-4-yl)acetamide
CID 114503698
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 115164987
methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate
CID 105467059
5-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 114504596
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one
CID 79659387

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane?
The IUPAC name of N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane (CID 142327055) is N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane.
What is the SMILES notation for N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane?
The canonical SMILES for N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane is CC.CC(C)CC(=O)NC1CCN(C)CC1N.
What is the InChIKey of N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane?
The InChIKey is FCRQGWLMKGIAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C2H6/c1-8(2)6-11(15)13-10-4-5-14(3)7-9(10)12;1-2/h8-10H,4-7,12H2,1-3H3,(H,13,15);1-2H3.
What are the key properties of N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane?
N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane has a molecular weight of 243.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-methylpiperidin-4-yl)-3-methylbutanamide;ethane is sourced from PubChem (CID 142327055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).