2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride

C16H28ClN3O — CID 120995474

IUPAC2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(C(C1CC1)C1CC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C16H27N3O.ClH/c20-16(15(12-1-2-12)13-3-4-13)19-8-5-14(11-19)18-9-6-17-7-10-18;/h12-15,17H,1-11H2;1H
InChIKeyOCGPFHAKQGJWDM-UHFFFAOYSA-N
MW313.87 g/mol
LogP1.35
Rot. Bonds4

About 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride

2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride (PubChem CID 120995474) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
PubChem CID120995474
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(C(C1CC1)C1CC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C16H27N3O.ClH/c20-16(15(12-1-2-12)13-3-4-13)19-8-5-14(11-19)18-9-6-17-7-10-18;/h12-15,17H,1-11H2;1H
InChIKeyOCGPFHAKQGJWDM-UHFFFAOYSA-N
XLogP1.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996566
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide
CID 120994849
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995506
6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995964
2-(4-methoxyphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996072
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-2-yl]acetamide;hydrochloride
CID 120996022
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
2-methyl-3-(4-methylphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994474
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride (CID 120995474) is 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride is Cl.O=C(C(C1CC1)C1CC1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride?
The InChIKey is OCGPFHAKQGJWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.ClH/c20-16(15(12-1-2-12)13-3-4-13)19-8-5-14(11-19)18-9-6-17-7-10-18;/h12-15,17H,1-11H2;1H.
What are the key properties of 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride?
2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120995474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).