N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide

C13H25N3O2 — CID 119378154

IUPACN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)N1CCCC(N)C1
InChIInChI=1S/C13H25N3O2/c1-10(2)5-6-12(17)15-8-13(18)16-7-3-4-11(14)9-16/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyQPOGSTCIRZNVDR-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide (PubChem CID 119378154) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
PubChem CID119378154
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)N1CCCC(N)C1
InChIInChI=1S/C13H25N3O2/c1-10(2)5-6-12(17)15-8-13(18)16-7-3-4-11(14)9-16/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyQPOGSTCIRZNVDR-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119379387
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119517632
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
CID 119595563
2-methylpropyl 3-aminopiperidine-1-carboxylate
CID 61297583
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 119577234
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657
1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
CID 119176267
[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid
CID 146225835
[2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl]carbamic acid
CID 135240082

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide (CID 119378154) is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(=O)N1CCCC(N)C1.
What is the InChIKey of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide?
The InChIKey is QPOGSTCIRZNVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)5-6-12(17)15-8-13(18)16-7-3-4-11(14)9-16/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide?
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 119378154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).