1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride

C14H29Cl2N3O — CID 119863482

IUPAC1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(CC(C)NC(=O)C2(N)CC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-10-6-11(2)8-17(7-10)9-12(3)16-13(18)14(15)4-5-14;;/h10-12H,4-9,15H2,1-3H3,(H,16,18);2*1H
InChIKeyMYQQTXAHZLUKDI-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.80
Rot. Bonds4

About 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119863482) has the molecular formula C14H29Cl2N3O and a molecular weight of 326.31 g/mol. Its IUPAC name is 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119863482
Molecular FormulaC14H29Cl2N3O
Molecular Weight326.31 g/mol
Exact Mass325.17
IUPAC Name1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(CC(C)NC(=O)C2(N)CC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-10-6-11(2)8-17(7-10)9-12(3)16-13(18)14(15)4-5-14;;/h10-12H,4-9,15H2,1-3H3,(H,16,18);2*1H
InChIKeyMYQQTXAHZLUKDI-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863522
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119863559
1-amino-N-(1-cyclopropylpropan-2-yl)cyclopropane-1-carboxamide
CID 65457255
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 119863481
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride
CID 119863526
2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide
CID 120799022
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]pyrimidine-2-carboxamide
CID 95772449
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
3-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 60574444
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119863555
1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852759
1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 65463788

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride (CID 119863482) is 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride is CC1CC(C)CN(CC(C)NC(=O)C2(N)CC2)C1.Cl.Cl.
What is the InChIKey of 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is MYQQTXAHZLUKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2ClH/c1-10-6-11(2)8-17(7-10)9-12(3)16-13(18)14(15)4-5-14;;/h10-12H,4-9,15H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 326.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119863482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).