1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone

C17H25N3O — CID 77095873

IUPAC1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
SMILESCN1CCN(C(=O)CN2CCCC2)CC1c1ccccc1
InChIInChI=1S/C17H25N3O/c1-18-11-12-20(17(21)14-19-9-5-6-10-19)13-16(18)15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyNRXKZCOEMJLECG-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.60
Rot. Bonds3

About 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone

1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 77095873) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
PubChem CID77095873
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
SMILESCN1CCN(C(=O)CN2CCCC2)CC1c1ccccc1
InChIInChI=1S/C17H25N3O/c1-18-11-12-20(17(21)14-19-9-5-6-10-19)13-16(18)15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyNRXKZCOEMJLECG-UHFFFAOYSA-N
XLogP1.60
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 171387000
formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 171688367
5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124964953
3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124988091
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416820
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
2-butoxy-1-(4-methyl-3-phenylpiperazin-1-yl)ethanone
CID 86285799
(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 77086044
4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
CID 95215004

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone (CID 77095873) is 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone is CN1CCN(C(=O)CN2CCCC2)CC1c1ccccc1.
What is the InChIKey of 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is NRXKZCOEMJLECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-11-12-20(17(21)14-19-9-5-6-10-19)13-16(18)15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3.
What are the key properties of 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone?
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 287.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 77095873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).