N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide

C13H25N3O2 — CID 82012223

IUPACN-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
SMILESCC(=O)N1CCC(NC(=O)CCC(C)CN)CC1
InChIInChI=1S/C13H25N3O2/c1-10(9-14)3-4-13(18)15-12-5-7-16(8-6-12)11(2)17/h10,12H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyJUYAQHPJDPXPBK-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide

N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide (PubChem CID 82012223) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
PubChem CID82012223
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
SMILESCC(=O)N1CCC(NC(=O)CCC(C)CN)CC1
InChIInChI=1S/C13H25N3O2/c1-10(9-14)3-4-13(18)15-12-5-7-16(8-6-12)11(2)17/h10,12H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyJUYAQHPJDPXPBK-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

N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
CID 62671383
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 54868295
methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
CID 113402198
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide
CID 82012457
N-(1-acetylpyrrolidin-3-yl)pentanamide
CID 110871326
4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
CID 81076250
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
N-(1-acetylpiperidin-4-yl)-2-(1-aminocyclobutyl)acetamide
CID 79854676
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide (CID 82012223) is N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide is CC(=O)N1CCC(NC(=O)CCC(C)CN)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide?
The InChIKey is JUYAQHPJDPXPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(9-14)3-4-13(18)15-12-5-7-16(8-6-12)11(2)17/h10,12H,3-9,14H2,1-2H3,(H,15,18).
What are the key properties of N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide?
N-(1-acetylpiperidin-4-yl)-5-amino-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-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide is sourced from PubChem (CID 82012223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).