2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide

C12H25N3O2 — CID 113450216

IUPAC2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H25N3O2/c1-10(2)17-8-5-14-12(16)9-15-6-3-11(13)4-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyYMHLPATWALCOQV-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds6

About 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 113450216) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID113450216
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H25N3O2/c1-10(2)17-8-5-14-12(16)9-15-6-3-11(13)4-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyYMHLPATWALCOQV-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen
CID 177061909
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-(4-aminopiperidin-1-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 107220866
2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide
CID 115740859
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
CID 104685674
2-(4-aminopiperidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102905813
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide (CID 113450216) is 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide is CC(C)OCCNC(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is YMHLPATWALCOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)17-8-5-14-12(16)9-15-6-3-11(13)4-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 113450216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).