1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride

C17H33Cl2N3O — CID 119855915

IUPAC1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCN(CC2CC2)CC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-14(16-3-2-6-18-12-16)11-17(21)20-9-7-19(8-10-20)13-15-4-5-15;;/h14-16,18H,2-13H2,1H3;2*1H
InChIKeyJUPQEOJBNRCICL-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.41
Rot. Bonds5

About 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride

1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride (PubChem CID 119855915) has the molecular formula C17H33Cl2N3O and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
PubChem CID119855915
Molecular FormulaC17H33Cl2N3O
Molecular Weight366.38 g/mol
Exact Mass365.20
IUPAC Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCN(CC2CC2)CC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-14(16-3-2-6-18-12-16)11-17(21)20-9-7-19(8-10-20)13-15-4-5-15;;/h14-16,18H,2-13H2,1H3;2*1H
InChIKeyJUPQEOJBNRCICL-UHFFFAOYSA-N
XLogP2.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride with MolForge

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Related Compounds

3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119894711
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methoxyethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119838543
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119894294
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119831323
1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride (CID 119855915) is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride is CC(CC(=O)N1CCN(CC2CC2)CC1)C1CCCNC1.Cl.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride?
The InChIKey is JUPQEOJBNRCICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.2ClH/c1-14(16-3-2-6-18-12-16)11-17(21)20-9-7-19(8-10-20)13-15-4-5-15;;/h14-16,18H,2-13H2,1H3;2*1H.
What are the key properties of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride?
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride has a molecular weight of 366.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride is sourced from PubChem (CID 119855915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).