3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile

C23H25N3O — CID 10109123

IUPAC3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCN(CCCOc4ccccc4)CC3)c2c1
InChIInChI=1S/C23H25N3O/c24-16-18-7-8-23-21(15-18)22(17-25-23)19-9-12-26(13-10-19)11-4-14-27-20-5-2-1-3-6-20/h1-3,5-8,15,17,19,25H,4,9-14H2
InChIKeyQREZYWRVHCYZSR-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.69
Rot. Bonds6

About 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile

3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile (PubChem CID 10109123) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile
PubChem CID10109123
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCN(CCCOc4ccccc4)CC3)c2c1
InChIInChI=1S/C23H25N3O/c24-16-18-7-8-23-21(15-18)22(17-25-23)19-9-12-26(13-10-19)11-4-14-27-20-5-2-1-3-6-20/h1-3,5-8,15,17,19,25H,4,9-14H2
InChIKeyQREZYWRVHCYZSR-UHFFFAOYSA-N
XLogP4.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile
CID 10134202
2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid
CID 23444870
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
CID 10333844
5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole
CID 10180659
4-[3-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]benzonitrile
CID 23444823
3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole
CID 67762256
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile (CID 10109123) is 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C3CCN(CCCOc4ccccc4)CC3)c2c1.
What is the InChIKey of 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile?
The InChIKey is QREZYWRVHCYZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c24-16-18-7-8-23-21(15-18)22(17-25-23)19-9-12-26(13-10-19)11-4-14-27-20-5-2-1-3-6-20/h1-3,5-8,15,17,19,25H,4,9-14H2.
What are the key properties of 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile?
3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile has a molecular weight of 359.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10109123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).