cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone

C23H30N2O3 — CID 72854891

IUPACcyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone
SMILESCC(C)C1C=CCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-16(2)21-4-3-13-25(21)23(27)18-7-9-19(10-8-18)28-20-11-14-24(15-12-20)22(26)17-5-6-17/h3-4,7-10,16-17,20-21H,5-6,11-15H2,1-2H3
InChIKeyPRWLTUWSWCCYLL-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.50
Rot. Bonds5

About cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone

cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 72854891) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone
PubChem CID72854891
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Namecyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone
SMILESCC(C)C1C=CCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-16(2)21-4-3-13-25(21)23(27)18-7-9-19(10-8-18)28-20-11-14-24(15-12-20)22(26)17-5-6-17/h3-4,7-10,16-17,20-21H,5-6,11-15H2,1-2H3
InChIKeyPRWLTUWSWCCYLL-UHFFFAOYSA-N
XLogP3.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[4-[4-[(2R)-2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 97271242
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 26398196
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 26407564
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperazin-2-one
CID 72845459
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide
CID 45216516
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide
CID 42305765

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone (CID 72854891) is cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone is CC(C)C1C=CCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is PRWLTUWSWCCYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)21-4-3-13-25(21)23(27)18-7-9-19(10-8-18)28-20-11-14-24(15-12-20)22(26)17-5-6-17/h3-4,7-10,16-17,20-21H,5-6,11-15H2,1-2H3.
What are the key properties of cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 382.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 72854891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).