(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone

C24H29NO3 — CID 91907819

IUPAC(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
SMILESO=C(N1CCC(OCCOCc2ccccc2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C24H29NO3/c26-23(24(13-14-24)21-9-5-2-6-10-21)25-15-11-22(12-16-25)28-18-17-27-19-20-7-3-1-4-8-20/h1-10,22H,11-19H2
InChIKeyQMLSFSDZVWCAEF-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.94
Rot. Bonds8

About (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone

(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone (PubChem CID 91907819) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
PubChem CID91907819
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
SMILESO=C(N1CCC(OCCOCc2ccccc2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C24H29NO3/c26-23(24(13-14-24)21-9-5-2-6-10-21)25-15-11-22(12-16-25)28-18-17-27-19-20-7-3-1-4-8-20/h1-10,22H,11-19H2
InChIKeyQMLSFSDZVWCAEF-UHFFFAOYSA-N
XLogP3.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119661960
4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
CID 91918376
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91918381
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91918384
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone (CID 91907819) is (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone is O=C(N1CCC(OCCOCc2ccccc2)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is QMLSFSDZVWCAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c26-23(24(13-14-24)21-9-5-2-6-10-21)25-15-11-22(12-16-25)28-18-17-27-19-20-7-3-1-4-8-20/h1-10,22H,11-19H2.
What are the key properties of (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 379.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91907819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).