1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride

C18H26ClN3O2 — CID 119708720

IUPAC1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)CC3CCCN3)CC2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-14-4-6-15(7-5-14)18(23)21-11-9-20(10-12-21)17(22)13-16-3-2-8-19-16;/h4-7,16,19H,2-3,8-13H2,1H3;1H
InChIKeyYCXHEVSMWTYVQP-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.84
Rot. Bonds3

About 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride

1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119708720) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119708720
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)CC3CCCN3)CC2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-14-4-6-15(7-5-14)18(23)21-11-9-20(10-12-21)17(22)13-16-3-2-8-19-16;/h4-7,16,19H,2-3,8-13H2,1H3;1H
InChIKeyYCXHEVSMWTYVQP-UHFFFAOYSA-N
XLogP1.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698291
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119840009
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride
CID 119765365
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119771317
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119734575
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119708720) is 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride is Cc1ccc(C(=O)N2CCN(C(=O)CC3CCCN3)CC2)cc1.Cl.
What is the InChIKey of 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is YCXHEVSMWTYVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-14-4-6-15(7-5-14)18(23)21-11-9-20(10-12-21)17(22)13-16-3-2-8-19-16;/h4-7,16,19H,2-3,8-13H2,1H3;1H.
What are the key properties of 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119708720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).