2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride

C17H33Cl2N3O2 — CID 119895118

IUPAC2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)N1CCC(OCCN2CCCC2)CC1
InChIInChI=1S/C17H31N3O2.2ClH/c21-17(14-15-4-3-7-18-15)20-10-5-16(6-11-20)22-13-12-19-8-1-2-9-19;;/h15-16,18H,1-14H2;2*1H
InChIKeyQQKFYYUYTKOAGI-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.08
Rot. Bonds6

About 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride

2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 119895118) has the molecular formula C17H33Cl2N3O2 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride
PubChem CID119895118
Molecular FormulaC17H33Cl2N3O2
Molecular Weight382.38 g/mol
Exact Mass381.19
IUPAC Name2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)N1CCC(OCCN2CCCC2)CC1
InChIInChI=1S/C17H31N3O2.2ClH/c21-17(14-15-4-3-7-18-15)20-10-5-16(6-11-20)22-13-12-19-8-1-2-9-19;;/h15-16,18H,1-14H2;2*1H
InChIKeyQQKFYYUYTKOAGI-UHFFFAOYSA-N
XLogP2.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119815525
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119833010
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 120638003
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119783256
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119738163

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride (CID 119895118) is 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)N1CCC(OCCN2CCCC2)CC1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is QQKFYYUYTKOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.2ClH/c21-17(14-15-4-3-7-18-15)20-10-5-16(6-11-20)22-13-12-19-8-1-2-9-19;;/h15-16,18H,1-14H2;2*1H.
What are the key properties of 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride?
2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 382.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119895118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).