1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride

C14H28ClN3O — CID 120980816

IUPAC1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCC(C)C1CCCN1CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-12(2)13-4-3-8-16(13)9-5-14(18)17-10-6-15-7-11-17;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyLMXHTWLIGBMWSF-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.35
Rot. Bonds4

About 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride

1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride (PubChem CID 120980816) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
PubChem CID120980816
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCC(C)C1CCCN1CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-12(2)13-4-3-8-16(13)9-5-14(18)17-10-6-15-7-11-17;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyLMXHTWLIGBMWSF-UHFFFAOYSA-N
XLogP1.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-2-carboxamide;hydrochloride
CID 120980433
3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981286
3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981287
3-[2-(1-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111107028
3-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981505
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
3-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981915
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 59252931
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
1-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79564607
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride (CID 120980816) is 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride is CC(C)C1CCCN1CCC(=O)N1CCNCC1.Cl.
What is the InChIKey of 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is LMXHTWLIGBMWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c1-12(2)13-4-3-8-16(13)9-5-14(18)17-10-6-15-7-11-17;/h12-13,15H,3-11H2,1-2H3;1H.
What are the key properties of 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride?
1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 289.85 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 1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120980816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).