2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride

C19H36Cl2N4O2 — CID 119836717

IUPAC2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)CNCC3CC3)CC2)C1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-15-9-16(2)13-23(12-15)19(25)14-21-5-7-22(8-6-21)18(24)11-20-10-17-3-4-17;;/h15-17,20H,3-14H2,1-2H3;2*1H
InChIKeySSDLBANGVGXZEK-UHFFFAOYSA-N
MW423.43 g/mol
LogP1.48
Rot. Bonds6

About 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride

2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119836717) has the molecular formula C19H36Cl2N4O2 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119836717
Molecular FormulaC19H36Cl2N4O2
Molecular Weight423.43 g/mol
Exact Mass422.22
IUPAC Name2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)CNCC3CC3)CC2)C1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-15-9-16(2)13-23(12-15)19(25)14-21-5-7-22(8-6-21)18(24)11-20-10-17-3-4-17;;/h15-17,20H,3-14H2,1-2H3;2*1H
InChIKeySSDLBANGVGXZEK-UHFFFAOYSA-N
XLogP1.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119836738
2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834260
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843330
(2S)-2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119836715
2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63633328
2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 54873746
3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 61161794

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride (CID 119836717) is 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride is CC1CC(C)CN(C(=O)CN2CCN(C(=O)CNCC3CC3)CC2)C1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is SSDLBANGVGXZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.2ClH/c1-15-9-16(2)13-23(12-15)19(25)14-21-5-7-22(8-6-21)18(24)11-20-10-17-3-4-17;;/h15-17,20H,3-14H2,1-2H3;2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride?
2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 423.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119836717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).