4-[(1-acetylpiperidin-4-yl)amino]butanamide

C11H21N3O2 — CID 60864118

IUPAC4-[(1-acetylpiperidin-4-yl)amino]butanamide
SMILESCC(=O)N1CCC(NCCCC(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-9(15)14-7-4-10(5-8-14)13-6-2-3-11(12)16/h10,13H,2-8H2,1H3,(H2,12,16)
InChIKeyYXFAUXSMGLIPMT-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.15
Rot. Bonds5

About 4-[(1-acetylpiperidin-4-yl)amino]butanamide

4-[(1-acetylpiperidin-4-yl)amino]butanamide (PubChem CID 60864118) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)amino]butanamide
PubChem CID60864118
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-[(1-acetylpiperidin-4-yl)amino]butanamide
SMILESCC(=O)N1CCC(NCCCC(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-9(15)14-7-4-10(5-8-14)13-6-2-3-11(12)16/h10,13H,2-8H2,1H3,(H2,12,16)
InChIKeyYXFAUXSMGLIPMT-UHFFFAOYSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
CID 60894186
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
CID 103992533
1-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]ethanone
CID 103859428
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591
1-[4-(2-methylsulfanylethylamino)piperidin-1-yl]ethanone
CID 60663581
4-(hexylamino)piperidine-1-carboxamide
CID 43769692
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
3-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373494
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]butanamide (CID 60864118) is 4-[(1-acetylpiperidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)amino]butanamide is CC(=O)N1CCC(NCCCC(N)=O)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)amino]butanamide?
The InChIKey is YXFAUXSMGLIPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(15)14-7-4-10(5-8-14)13-6-2-3-11(12)16/h10,13H,2-8H2,1H3,(H2,12,16).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)amino]butanamide?
4-[(1-acetylpiperidin-4-yl)amino]butanamide has a molecular weight of 227.31 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)amino]butanamide is sourced from PubChem (CID 60864118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).