cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone

C23H28N2O2 — CID 162643335

IUPACcyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCC(c3ccncc3)CC2)cc1)C1CC1
InChIInChI=1S/C23H28N2O2/c26-23(20-2-3-20)21-4-6-22(7-5-21)27-17-1-14-25-15-10-19(11-16-25)18-8-12-24-13-9-18/h4-9,12-13,19-20H,1-3,10-11,14-17H2
InChIKeyXFNQPNJGEZOKCM-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.32
Rot. Bonds8

About cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone

cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone (PubChem CID 162643335) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
PubChem CID162643335
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Namecyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCC(c3ccncc3)CC2)cc1)C1CC1
InChIInChI=1S/C23H28N2O2/c26-23(20-2-3-20)21-4-6-22(7-5-21)27-17-1-14-25-15-10-19(11-16-25)18-8-12-24-13-9-18/h4-9,12-13,19-20H,1-3,10-11,14-17H2
InChIKeyXFNQPNJGEZOKCM-UHFFFAOYSA-N
XLogP4.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
(2S)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one
CID 12016525
(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-3-methylbutan-1-one
CID 102463540
(2R)-2-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazine-1-carbonyl]azetidine-1-carboxylic acid
CID 70032354
cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone
CID 51003617
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145
phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
CID 66783871
(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,4-diazepan-1-yl]butan-1-one
CID 70035392
(2R)-2-[2-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxylic acid
CID 70032234
tert-butyl 3-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazine-1-carbonyl]azetidine-1-carboxylate
CID 18540093
[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697649

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone (CID 162643335) is cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone is O=C(c1ccc(OCCCN2CCC(c3ccncc3)CC2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone?
The InChIKey is XFNQPNJGEZOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(20-2-3-20)21-4-6-22(7-5-21)27-17-1-14-25-15-10-19(11-16-25)18-8-12-24-13-9-18/h4-9,12-13,19-20H,1-3,10-11,14-17H2.
What are the key properties of cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone?
cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone has a molecular weight of 364.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone is sourced from PubChem (CID 162643335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).