1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide

C12H23N3O2 — CID 76894481

IUPAC1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
SMILESCC(C)(C)C(N)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C12H23N3O2/c1-12(2,3)9(13)11(17)15-7-5-4-6-8(15)10(14)16/h8-9H,4-7,13H2,1-3H3,(H2,14,16)
InChIKeyQNMDRSQVSKZVQP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.23
Rot. Bonds2

About 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide

1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide (PubChem CID 76894481) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
PubChem CID76894481
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
SMILESCC(C)(C)C(N)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C12H23N3O2/c1-12(2,3)9(13)11(17)15-7-5-4-6-8(15)10(14)16/h8-9H,4-7,13H2,1-3H3,(H2,14,16)
InChIKeyQNMDRSQVSKZVQP-UHFFFAOYSA-N
XLogP0.23
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
CID 107026089
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537911
3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897445
phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 70822851
1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide;1-ethynyl-4-(2-methoxyethyl)benzene
CID 170584258
1-(2-bromobutanoyl)piperidine-2-carboxamide
CID 62854478

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide (CID 76894481) is 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide is CC(C)(C)C(N)C(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide?
The InChIKey is QNMDRSQVSKZVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)9(13)11(17)15-7-5-4-6-8(15)10(14)16/h8-9H,4-7,13H2,1-3H3,(H2,14,16).
What are the key properties of 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide?
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 76894481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).