[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone

C24H26N2O5 — CID 118633886

IUPAC[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2cccc(OC3CC3)c2)cc1)N1CCN(C(=O)C2(O)COC2)CC1
InChIInChI=1S/C24H26N2O5/c27-22(25-10-12-26(13-11-25)23(28)24(29)15-30-16-24)18-6-4-17(5-7-18)19-2-1-3-21(14-19)31-20-8-9-20/h1-7,14,20,29H,8-13,15-16H2
InChIKeyWVFJVBQNNIHRJN-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.94
Rot. Bonds5

About [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone

[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 118633886) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone
PubChem CID118633886
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2cccc(OC3CC3)c2)cc1)N1CCN(C(=O)C2(O)COC2)CC1
InChIInChI=1S/C24H26N2O5/c27-22(25-10-12-26(13-11-25)23(28)24(29)15-30-16-24)18-6-4-17(5-7-18)19-2-1-3-21(14-19)31-20-8-9-20/h1-7,14,20,29H,8-13,15-16H2
InChIKeyWVFJVBQNNIHRJN-UHFFFAOYSA-N
XLogP1.94
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-methylphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 10254761
{3-[3-(Dimethylamino)-2-hydroxypropoxy]naphthalen-2-yl}(piperidin-1-yl)methanone
CID 651328
[4-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275952
4-[2-(dimethylamino)ethoxy-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;oxalic acid
CID 44367561
N,N-diethyl-4-[(3-methoxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide;oxalic acid
CID 44367627
1-(2-(3-(4-Benzoylpiperazin-1-yl)-2-hydroxypropoxy)phenyl)-3-phenylpropan-1-one
CID 44421022
4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzamide
CID 90335165
1-[4-(2-Methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 647342
(4-(3-(4-(Tert-butyl)phenoxy)-2-hydroxypropyl)piperazin-1-yl)(phenyl)methanone oxalate
CID 2975427
1-(4-Benzoyl-1-piperazinyl)-3-(4-tert-butylphenoxy)-2-propanol ethanedioate (salt)
CID 2975428
1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 73357262

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone (CID 118633886) is [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2cccc(OC3CC3)c2)cc1)N1CCN(C(=O)C2(O)COC2)CC1.
What is the InChIKey of [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is WVFJVBQNNIHRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c27-22(25-10-12-26(13-11-25)23(28)24(29)15-30-16-24)18-6-4-17(5-7-18)19-2-1-3-21(14-19)31-20-8-9-20/h1-7,14,20,29H,8-13,15-16H2.
What are the key properties of [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone?
[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 422.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118633886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).