[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone

C23H29N3O — CID 15158262

IUPAC[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23(22-12-7-14-26(22)21-10-5-2-6-11-21)25-18-16-24(17-19-25)15-13-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2
InChIKeyGUZOGIBURQURFB-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.04
Rot. Bonds5

About [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone

[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone (PubChem CID 15158262) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone
PubChem CID15158262
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23(22-12-7-14-26(22)21-10-5-2-6-11-21)25-18-16-24(17-19-25)15-13-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2
InChIKeyGUZOGIBURQURFB-UHFFFAOYSA-N
XLogP3.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 15158260
(1R,2S,3S,4S)-3-[4-(2-phenylethyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 27520110
[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95601653
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
3,4-dimethyl-6-[4-(2-phenylethyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 6469252
4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one
CID 136537548
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
CID 173145770
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90513799
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;hydrochloride
CID 120631837
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone (CID 15158262) is [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone is O=C(C1CCCN1c1ccccc1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone?
The InChIKey is GUZOGIBURQURFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(22-12-7-14-26(22)21-10-5-2-6-11-21)25-18-16-24(17-19-25)15-13-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2.
What are the key properties of [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone?
[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone has a molecular weight of 363.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 15158262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).