3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

C18H28ClN3O — CID 120981772

IUPAC3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC1CC(c2ccccc2)CN1CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-15-13-17(16-5-3-2-4-6-16)14-21(15)10-7-18(22)20-11-8-19-9-12-20;/h2-6,15,17,19H,7-14H2,1H3;1H
InChIKeyZVSJSEZJBAFGAL-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.11
Rot. Bonds4

About 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981772) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981772
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC1CC(c2ccccc2)CN1CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-15-13-17(16-5-3-2-4-6-16)14-21(15)10-7-18(22)20-11-8-19-9-12-20;/h2-6,15,17,19H,7-14H2,1H3;1H
InChIKeyZVSJSEZJBAFGAL-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981473
3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56793687
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119790946
N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide
CID 84586015
3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982758
3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980885
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
3-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981505
4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
CID 119327765

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981772) is 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is CC1CC(c2ccccc2)CN1CCC(=O)N1CCNCC1.Cl.
What is the InChIKey of 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is ZVSJSEZJBAFGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c1-15-13-17(16-5-3-2-4-6-16)14-21(15)10-7-18(22)20-11-8-19-9-12-20;/h2-6,15,17,19H,7-14H2,1H3;1H.
What are the key properties of 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 337.90 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).