[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

C24H30N2O3 — CID 157014799

IUPAC[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESCOCC1(C(=O)N2CCN(C(COc3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H30N2O3/c1-28-19-24(12-13-24)23(27)26-16-14-25(15-17-26)22(20-8-4-2-5-9-20)18-29-21-10-6-3-7-11-21/h2-11,22H,12-19H2,1H3
InChIKeyPMUQFKVVDSTAOW-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.38
Rot. Bonds8

About [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 157014799) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
PubChem CID157014799
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESCOCC1(C(=O)N2CCN(C(COc3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H30N2O3/c1-28-19-24(12-13-24)23(27)26-16-14-25(15-17-26)22(20-8-4-2-5-9-20)18-29-21-10-6-3-7-11-21/h2-11,22H,12-19H2,1H3
InChIKeyPMUQFKVVDSTAOW-UHFFFAOYSA-N
XLogP3.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157015324
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014538
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165747
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120647394
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
CID 51623312
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (CID 157014799) is [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is COCC1(C(=O)N2CCN(C(COc3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is PMUQFKVVDSTAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-19-24(12-13-24)23(27)26-16-14-25(15-17-26)22(20-8-4-2-5-9-20)18-29-21-10-6-3-7-11-21/h2-11,22H,12-19H2,1H3.
What are the key properties of [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 394.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 157014799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).