1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide

C13H25N3O2 — CID 61162789

IUPAC1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-9(2)11(14)13(18)16-7-5-10(6-8-16)12(17)15(3)4/h9-11H,5-8,14H2,1-4H3/t11-/m0/s1
InChIKeyUCQASIAYTNSKLX-NSHDSACASA-N
MW255.36 g/mol
LogP0.30
Rot. Bonds3

About 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 61162789) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID61162789
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-9(2)11(14)13(18)16-7-5-10(6-8-16)12(17)15(3)4/h9-11H,5-8,14H2,1-4H3/t11-/m0/s1
InChIKeyUCQASIAYTNSKLX-NSHDSACASA-N
XLogP0.30
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79024849
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
N-[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]-N-cyclopropylacetamide
CID 77144284
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64887967
1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride
CID 119301954
N,N-dimethyl-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide
CID 79202506
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 62474132
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
CID 69143170

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 61162789) is 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide is CC(C)[C@H](N)C(=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is UCQASIAYTNSKLX-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)11(14)13(18)16-7-5-10(6-8-16)12(17)15(3)4/h9-11H,5-8,14H2,1-4H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 61162789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).