1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide

C11H21N3O2 — CID 64683539

IUPAC1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
SMILESCC(C)(N)CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-11(2,13)7-9(15)14-5-3-8(4-6-14)10(12)16/h8H,3-7,13H2,1-2H3,(H2,12,16)
InChIKeyKVLOYYYJBOUESD-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.16
Rot. Bonds3

About 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide

1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide (PubChem CID 64683539) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
PubChem CID64683539
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
SMILESCC(C)(N)CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-11(2,13)7-9(15)14-5-3-8(4-6-14)10(12)16/h8H,3-7,13H2,1-2H3,(H2,12,16)
InChIKeyKVLOYYYJBOUESD-UHFFFAOYSA-N
XLogP-0.16
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
CID 43437467
1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide
CID 119137408
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 64678059
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302523
3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 64685940

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide (CID 64683539) is 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide is CC(C)(N)CC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide?
The InChIKey is KVLOYYYJBOUESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,13)7-9(15)14-5-3-8(4-6-14)10(12)16/h8H,3-7,13H2,1-2H3,(H2,12,16).
What are the key properties of 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide?
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 64683539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).