1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide

C13H25N3O2 — CID 61173936

IUPAC1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
SMILESCCC(C)[C@H](N)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C13H25N3O2/c1-4-8(2)11(14)13(18)16-7-10(12(15)17)6-5-9(16)3/h8-11H,4-7,14H2,1-3H3,(H2,15,17)/t8?,9?,10?,11-/m0/s1
InChIKeyRSNGHOPSEZQSNM-QUBJWBRDSA-N
MW255.36 g/mol
LogP0.47
Rot. Bonds4

About 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide

1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 61173936) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
PubChem CID61173936
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
SMILESCCC(C)[C@H](N)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C13H25N3O2/c1-4-8(2)11(14)13(18)16-7-10(12(15)17)6-5-9(16)3/h8-11H,4-7,14H2,1-3H3,(H2,15,17)/t8?,9?,10?,11-/m0/s1
InChIKeyRSNGHOPSEZQSNM-QUBJWBRDSA-N
XLogP0.47
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide
CID 113416223
1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 62727603
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 62474841
3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897663
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
CID 61172286
1-[2-(N'-hydroxycarbamimidoyl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 76925260
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one
CID 81203652
(2S,3S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 103833366
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 78984554

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide (CID 61173936) is 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide is CCC(C)[C@H](N)C(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is RSNGHOPSEZQSNM-QUBJWBRDSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-8(2)11(14)13(18)16-7-10(12(15)17)6-5-9(16)3/h8-11H,4-7,14H2,1-3H3,(H2,15,17)/t8?,9?,10?,11-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide?
1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 61173936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).