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

C12H23N3O2 — CID 103796757

IUPAC1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
SMILESCCC[C@@H](N)C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C12H23N3O2/c1-3-5-10(13)12(17)15-7-4-6-9(8-15)11(16)14-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyRGFOCZOUKJCGQI-QVDQXJPCSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds4

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

1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103796757) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
PubChem CID103796757
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
SMILESCCC[C@@H](N)C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C12H23N3O2/c1-3-5-10(13)12(17)15-7-4-6-9(8-15)11(16)14-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyRGFOCZOUKJCGQI-QVDQXJPCSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide
CID 103796762
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
1-(2-carbamothioyl-3-methylbutanoyl)-N-methylpiperidine-3-carboxamide
CID 103195834
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide (CID 103796757) is 1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide is CCC[C@@H](N)C(=O)N1CCCC(C(=O)NC)C1.
What is the InChIKey of 1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is RGFOCZOUKJCGQI-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-5-10(13)12(17)15-7-4-6-9(8-15)11(16)14-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t9?,10-/m1/s1.
What are the key properties of 1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide?
1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103796757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).