1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

C20H29N3O2 — CID 110666254

IUPAC1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(CC(=O)N2CCN(C(=O)CCN3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-17-4-6-18(7-5-17)16-20(25)23-14-12-22(13-15-23)19(24)8-11-21-9-2-3-10-21/h4-7H,2-3,8-16H2,1H3
InChIKeyOWEFSRLEGMLPSL-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.69
Rot. Bonds5

About 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 110666254) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
PubChem CID110666254
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(CC(=O)N2CCN(C(=O)CCN3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-17-4-6-18(7-5-17)16-20(25)23-14-12-22(13-15-23)19(24)8-11-21-9-2-3-10-21/h4-7H,2-3,8-16H2,1H3
InChIKeyOWEFSRLEGMLPSL-UHFFFAOYSA-N
XLogP1.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422476
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)ethanone
CID 80665628
3-methyl-2-(4-methylphenyl)-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]butan-1-one
CID 110619825
3-(4-tert-butylphenyl)-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110422541
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 111432626
3-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 119767921
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119314460

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (CID 110666254) is 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is Cc1ccc(CC(=O)N2CCN(C(=O)CCN3CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OWEFSRLEGMLPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-17-4-6-18(7-5-17)16-20(25)23-14-12-22(13-15-23)19(24)8-11-21-9-2-3-10-21/h4-7H,2-3,8-16H2,1H3.
What are the key properties of 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 343.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 110666254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).