1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide

C12H23N3O2 — CID 79013406

IUPAC1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)[C@H](N)C(C)C
InChIInChI=1S/C12H23N3O2/c1-8(2)10(13)12(17)15-7-5-4-6-9(15)11(16)14-3/h8-10H,4-7,13H2,1-3H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyDSXBRBBISAMTQP-QVDQXJPCSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds3

About 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide

1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 79013406) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
PubChem CID79013406
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)[C@H](N)C(C)C
InChIInChI=1S/C12H23N3O2/c1-8(2)10(13)12(17)15-7-5-4-6-9(15)11(16)14-3/h8-10H,4-7,13H2,1-3H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyDSXBRBBISAMTQP-QVDQXJPCSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 18232494
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-2-carboxamide
CID 76925120
(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 123586300
1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120606534

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide (CID 79013406) is 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)[C@H](N)C(C)C.
What is the InChIKey of 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is DSXBRBBISAMTQP-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)10(13)12(17)15-7-5-4-6-9(15)11(16)14-3/h8-10H,4-7,13H2,1-3H3,(H,14,16)/t9?,10-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide?
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 79013406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).