(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

C24H29NO2 — CID 72962194

IUPAC(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCCCC2)cc1)C1CC1c1ccccc1
InChIInChI=1S/C24H29NO2/c26-24(23-18-22(23)19-8-3-1-4-9-19)20-10-12-21(13-11-20)27-17-7-16-25-14-5-2-6-15-25/h1,3-4,8-13,22-23H,2,5-7,14-18H2
InChIKeyWOSXIPMCOPQABJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.93
Rot. Bonds8

About (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone (PubChem CID 72962194) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
PubChem CID72962194
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCCCC2)cc1)C1CC1c1ccccc1
InChIInChI=1S/C24H29NO2/c26-24(23-18-22(23)19-8-3-1-4-9-19)20-10-12-21(13-11-20)27-17-7-16-25-14-5-2-6-15-25/h1,3-4,8-13,22-23H,2,5-7,14-18H2
InChIKeyWOSXIPMCOPQABJ-UHFFFAOYSA-N
XLogP4.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.93
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-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone
CID 85424921
phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
CID 66783871
1-[4-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]butyl]piperidine
CID 21469785
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
[2-(4-ethoxyphenyl)cyclopropyl]-phenylmethanone
CID 14939960
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
1-[1-(3-phenoxypropyl)piperidin-4-yl]-6-piperidin-1-ylhexan-1-one
CID 57169720
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809

Frequently Asked Questions

What is the IUPAC name of (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
The IUPAC name of (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone (CID 72962194) is (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone.
What is the SMILES notation for (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
The canonical SMILES for (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone is O=C(c1ccc(OCCCN2CCCCC2)cc1)C1CC1c1ccccc1.
What is the InChIKey of (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
The InChIKey is WOSXIPMCOPQABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c26-24(23-18-22(23)19-8-3-1-4-9-19)20-10-12-21(13-11-20)27-17-7-16-25-14-5-2-6-15-25/h1,3-4,8-13,22-23H,2,5-7,14-18H2.
What are the key properties of (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone has a molecular weight of 363.50 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone is sourced from PubChem (CID 72962194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).