1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine

C28H30N2O — CID 44215411

IUPAC1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESC1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CN4C=CC=CC4=C3C5=CC=CC=C5
InChIInChI=1S/C28H30N2O/c1-3-10-24(11-4-1)28-26(22-30-20-8-5-12-27(28)30)23-13-15-25(16-14-23)31-21-9-19-29-17-6-2-7-18-29/h1,3-5,8,10-16,20,22H,2,6-7,9,17-19,21H2
InChIKeyGYWKLGRAFKRQNM-UHFFFAOYSA-N
MW410.50 g/mol
LogP7.00
Rot. Bonds7

About 1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine

1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine (PubChem CID 44215411) has the molecular formula C28H30N2O and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.

Molecular Properties

Compound Name1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
PubChem CID44215411
Molecular FormulaC28H30N2O
Molecular Weight410.50 g/mol
Exact Mass410.24
IUPAC Name1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESC1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CN4C=CC=CC4=C3C5=CC=CC=C5
InChIInChI=1S/C28H30N2O/c1-3-10-24(11-4-1)28-26(22-30-20-8-5-12-27(28)30)23-13-15-25(16-14-23)31-21-9-19-29-17-6-2-7-18-29/h1,3-5,8,10-16,20,22H,2,6-7,9,17-19,21H2
InChIKeyGYWKLGRAFKRQNM-UHFFFAOYSA-N
XLogP7.00
TPSA16.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity519

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-5-benzyloxyindole
CID 259196
N-butylharmine
CID 486624
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
(6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin-4-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 16006719
(6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin-3-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44441067
(6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin-2-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44441071
1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
N-Ethylharmine
CID 486623
3-Methoxypyrido[1,2-a]indole-10-carbonitrile
CID 1488983
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
N,N-Dimethyl-2-(4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy)ethanamine
CID 389733
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849

Frequently Asked Questions

What is the IUPAC name of 1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine?
The IUPAC name of 1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine (CID 44215411) is 1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.
What is the SMILES notation for 1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine?
The canonical SMILES for 1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine is C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CN4C=CC=CC4=C3C5=CC=CC=C5.
What is the InChIKey of 1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine?
The InChIKey is GYWKLGRAFKRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O/c1-3-10-24(11-4-1)28-26(22-30-20-8-5-12-27(28)30)23-13-15-25(16-14-23)31-21-9-19-29-17-6-2-7-18-29/h1,3-5,8,10-16,20,22H,2,6-7,9,17-19,21H2.
What are the key properties of 1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine?
1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine has a molecular weight of 410.50 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine is sourced from PubChem (CID 44215411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).