1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide

C11H21N3O2 — CID 103796762

IUPAC1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide
SMILESCC[C@H](N)C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C11H21N3O2/c1-3-9(12)11(16)14-6-4-5-8(7-14)10(15)13-2/h8-9H,3-7,12H2,1-2H3,(H,13,15)/t8?,9-/m0/s1
InChIKeyIAIWEHHUUXGUNV-GKAPJAKFSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds3

About 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide

1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103796762) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide
PubChem CID103796762
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide
SMILESCC[C@H](N)C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C11H21N3O2/c1-3-9(12)11(16)14-6-4-5-8(7-14)10(15)13-2/h8-9H,3-7,12H2,1-2H3,(H,13,15)/t8?,9-/m0/s1
InChIKeyIAIWEHHUUXGUNV-GKAPJAKFSA-N
XLogP-0.29
TPSA75.43 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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
CID 103796757
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
1-(2-carbamothioyl-3-methylbutanoyl)-N-methylpiperidine-3-carboxamide
CID 103195834
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
CID 103195301
(2S)-2-amino-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one;dihydrochloride
CID 119858299
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide (CID 103796762) is 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide is CC[C@H](N)C(=O)N1CCCC(C(=O)NC)C1.
What is the InChIKey of 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is IAIWEHHUUXGUNV-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-9(12)11(16)14-6-4-5-8(7-14)10(15)13-2/h8-9H,3-7,12H2,1-2H3,(H,13,15)/t8?,9-/m0/s1.
What are the key properties of 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide?
1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103796762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).