2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide

C12H25N3O — CID 43310362

IUPAC2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide
SMILESCCN1CCC(C(C)NCC(=O)NC)CC1
InChIInChI=1S/C12H25N3O/c1-4-15-7-5-11(6-8-15)10(2)14-9-12(16)13-3/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyOAZCBVUARUSZIK-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.44
Rot. Bonds5

About 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide

2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide (PubChem CID 43310362) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide
PubChem CID43310362
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide
SMILESCCN1CCC(C(C)NCC(=O)NC)CC1
InChIInChI=1S/C12H25N3O/c1-4-15-7-5-11(6-8-15)10(2)14-9-12(16)13-3/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyOAZCBVUARUSZIK-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetamide
CID 43568260
methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate
CID 43307422
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-3-methylbutanamide
CID 106344149
2-[(1-cyclopropyl-2-methylpropyl)amino]-N-methylacetamide
CID 115706840
N-(1-ethylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62637523
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine
CID 60816961
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylpropanamide
CID 61220165
N-butan-2-yl-2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]acetamide
CID 63852912

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide (CID 43310362) is 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide is CCN1CCC(C(C)NCC(=O)NC)CC1.
What is the InChIKey of 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide?
The InChIKey is OAZCBVUARUSZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15-7-5-11(6-8-15)10(2)14-9-12(16)13-3/h10-11,14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide?
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 43310362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).