1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole

C26H32N2O — CID 141032386

IUPAC1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole
SMILESc1ccc(OCCCN2CCC(c3cn(CC4CC4)c4ccccc34)CC2)cc1
InChIInChI=1S/C26H32N2O/c1-2-7-23(8-3-1)29-18-6-15-27-16-13-22(14-17-27)25-20-28(19-21-11-12-21)26-10-5-4-9-24(25)26/h1-5,7-10,20-22H,6,11-19H2
InChIKeyRQLAATURENHGSZ-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.70
Rot. Bonds8

About 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole

1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole (PubChem CID 141032386) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole
PubChem CID141032386
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole
SMILESc1ccc(OCCCN2CCC(c3cn(CC4CC4)c4ccccc34)CC2)cc1
InChIInChI=1S/C26H32N2O/c1-2-7-23(8-3-1)29-18-6-15-27-16-13-22(14-17-27)25-20-28(19-21-11-12-21)26-10-5-4-9-24(25)26/h1-5,7-10,20-22H,6,11-19H2
InChIKeyRQLAATURENHGSZ-UHFFFAOYSA-N
XLogP5.70
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.70
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-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]benzonitrile
CID 23444823
2-[4-[3-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]phenyl]acetic acid
CID 23444838
1-(3-methylbutyl)-3-[1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]indole
CID 23444861
2-[3-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]phenyl]acetic acid;2-[3-[3-[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]propoxy]phenyl]acetic acid
CID 158898592
2-[4-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 11259138
2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 11282005
3,5-dibromo-2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 11238716
4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine
CID 82702024
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
1-(3-methylbutyl)-3-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]indole
CID 23444858
1-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 131916496

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole?
The IUPAC name of 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole (CID 141032386) is 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole is c1ccc(OCCCN2CCC(c3cn(CC4CC4)c4ccccc34)CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole?
The InChIKey is RQLAATURENHGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-2-7-23(8-3-1)29-18-6-15-27-16-13-22(14-17-27)25-20-28(19-21-11-12-21)26-10-5-4-9-24(25)26/h1-5,7-10,20-22H,6,11-19H2.
What are the key properties of 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole?
1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole has a molecular weight of 388.56 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[1-(3-phenoxypropyl)piperidin-4-yl]indole is sourced from PubChem (CID 141032386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).