3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride

C19H37Cl2N3O — CID 119894711

IUPAC3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCC(CN2CCCCC2)C1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C19H35N3O.2ClH/c1-16(18-6-5-8-20-13-18)12-19(23)22-11-7-17(15-22)14-21-9-3-2-4-10-21;;/h16-18,20H,2-15H2,1H3;2*1H
InChIKeySPTIBHCKSMFQMR-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.19
Rot. Bonds5

About 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride

3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119894711) has the molecular formula C19H37Cl2N3O and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
PubChem CID119894711
Molecular FormulaC19H37Cl2N3O
Molecular Weight394.43 g/mol
Exact Mass393.23
IUPAC Name3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCC(CN2CCCCC2)C1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C19H35N3O.2ClH/c1-16(18-6-5-8-20-13-18)12-19(23)22-11-7-17(15-22)14-21-9-3-2-4-10-21;;/h16-18,20H,2-15H2,1H3;2*1H
InChIKeySPTIBHCKSMFQMR-UHFFFAOYSA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride with MolForge

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Related Compounds

1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119894294
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875753
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894675
N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119762851
1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119698721
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
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-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671893
N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 119722485
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride (CID 119894711) is 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride is CC(CC(=O)N1CCC(CN2CCCCC2)C1)C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is SPTIBHCKSMFQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O.2ClH/c1-16(18-6-5-8-20-13-18)12-19(23)22-11-7-17(15-22)14-21-9-3-2-4-10-21;;/h16-18,20H,2-15H2,1H3;2*1H.
What are the key properties of 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 394.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119894711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).