2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride

C12H27Cl2N3O — CID 119841092

IUPAC2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride
SMILESCNCC(=O)NC1CCN(CC(C)C)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)9-15-6-4-11(5-7-15)14-12(16)8-13-3;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H
InChIKeyPMRIBCOADCBWMS-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.29
Rot. Bonds5

About 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride

2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride (PubChem CID 119841092) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride
PubChem CID119841092
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride
SMILESCNCC(=O)NC1CCN(CC(C)C)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)9-15-6-4-11(5-7-15)14-12(16)8-13-3;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H
InChIKeyPMRIBCOADCBWMS-UHFFFAOYSA-N
XLogP1.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
2-methyl-3-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 119841116
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
CID 103779047
1-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119841090
N-(1-cyclohexylpiperidin-4-yl)-2-(methylamino)acetamide
CID 120704864
N-cyclopropyl-2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetamide
CID 43568260
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745
(2R)-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119841057
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119841081

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride (CID 119841092) is 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride is CNCC(=O)NC1CCN(CC(C)C)CC1.Cl.Cl.
What is the InChIKey of 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride?
The InChIKey is PMRIBCOADCBWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-10(2)9-15-6-4-11(5-7-15)14-12(16)8-13-3;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H.
What are the key properties of 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride?
2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119841092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).