2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone

C12H25N3O2 — CID 170895884

IUPAC2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone
SMILESCOCCNC1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-14(2)10-12(16)15-7-4-11(5-8-15)13-6-9-17-3/h11,13H,4-10H2,1-3H3
InChIKeyHHFOIOPEIBGWCB-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.22
Rot. Bonds6

About 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone (PubChem CID 170895884) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone
PubChem CID170895884
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone
SMILESCOCCNC1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-14(2)10-12(16)15-7-4-11(5-8-15)13-6-9-17-3/h11,13H,4-10H2,1-3H3
InChIKeyHHFOIOPEIBGWCB-UHFFFAOYSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine
CID 123149475
2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone
CID 130426463
1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 39290169
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119622312
3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
CID 75436334
2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone
CID 106675338
2-(dimethylamino)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 56751090
1-(cyclopropylmethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 115705566
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 78958946

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone (CID 170895884) is 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone is COCCNC1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone?
The InChIKey is HHFOIOPEIBGWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-14(2)10-12(16)15-7-4-11(5-8-15)13-6-9-17-3/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone has a molecular weight of 243.35 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 170895884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).