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

C26H34N2O2 — CID 66783871

IUPACphenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C26H34N2O2/c29-26(22-8-3-1-4-9-22)23-14-19-28(20-15-23)24-10-12-25(13-11-24)30-21-7-18-27-16-5-2-6-17-27/h1,3-4,8-13,23H,2,5-7,14-21H2
InChIKeyWRPKONVDOPLIEP-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.04
Rot. Bonds8

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

phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone (PubChem CID 66783871) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
PubChem CID66783871
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Namephenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C26H34N2O2/c29-26(22-8-3-1-4-9-22)23-14-19-28(20-15-23)24-10-12-25(13-11-24)30-21-7-18-27-16-5-2-6-17-27/h1,3-4,8-13,23H,2,5-7,14-21H2
InChIKeyWRPKONVDOPLIEP-UHFFFAOYSA-N
XLogP5.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidine-4-carbaldehyde
CID 87150007
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 72962194
1-[1-(3-phenoxypropyl)piperidin-4-yl]-6-piperidin-1-ylhexan-1-one
CID 57169720
cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone
CID 51003617
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[4-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]butyl]piperidine
CID 21469785
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone?
The IUPAC name of phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone (CID 66783871) is phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone.
What is the SMILES notation for phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone?
The canonical SMILES for phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone is O=C(c1ccccc1)C1CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone?
The InChIKey is WRPKONVDOPLIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c29-26(22-8-3-1-4-9-22)23-14-19-28(20-15-23)24-10-12-25(13-11-24)30-21-7-18-27-16-5-2-6-17-27/h1,3-4,8-13,23H,2,5-7,14-21H2.
What are the key properties of phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone?
phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone has a molecular weight of 406.57 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone is sourced from PubChem (CID 66783871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).