1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone

C19H27N3O2 — CID 95303265

IUPAC1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CC[C@H](c3ccccc3C)C2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-5-3-4-6-18(15)17-7-8-20(13-17)14-19(24)22-11-9-21(10-12-22)16(2)23/h3-6,17H,7-14H2,1-2H3/t17-/m0/s1
InChIKeyPAVSADAZABSCBX-KRWDZBQOSA-N
MW329.44 g/mol
LogP1.48
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 95303265) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID95303265
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CC[C@H](c3ccccc3C)C2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-5-3-4-6-18(15)17-7-8-20(13-17)14-19(24)22-11-9-21(10-12-22)16(2)23/h3-6,17H,7-14H2,1-2H3/t17-/m0/s1
InChIKeyPAVSADAZABSCBX-KRWDZBQOSA-N
XLogP1.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 111123249
3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 111442669
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119920308
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
4-ethoxy-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 94821461
1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 95295911
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone (CID 95303265) is 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCN(C(=O)CN2CC[C@H](c3ccccc3C)C2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is PAVSADAZABSCBX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-5-3-4-6-18(15)17-7-8-20(13-17)14-19(24)22-11-9-21(10-12-22)16(2)23/h3-6,17H,7-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 329.44 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95303265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).