(2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide

C25H30FN3O2 — CID 70682351

IUPAC(2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H30FN3O2/c1-27(2)25(31)23-17-20-5-3-4-6-22(20)29(23)24(30)13-16-28-14-11-19(12-15-28)18-7-9-21(26)10-8-18/h3-10,19,23H,11-17H2,1-2H3/t23-/m0/s1
InChIKeyIIAXFKCBZXVXLS-QHCPKHFHSA-N
MW423.53 g/mol
LogP3.44
Rot. Bonds5

About (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide

(2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide (PubChem CID 70682351) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
PubChem CID70682351
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name(2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H30FN3O2/c1-27(2)25(31)23-17-20-5-3-4-6-22(20)29(23)24(30)13-16-28-14-11-19(12-15-28)18-7-9-21(26)10-8-18/h3-10,19,23H,11-17H2,1-2H3/t23-/m0/s1
InChIKeyIIAXFKCBZXVXLS-QHCPKHFHSA-N
XLogP3.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride
CID 11957576
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
5-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}-1-(4-methylbenzyl)pyrrolidin-2-one
CID 3240795
example 8 [WO1999033801A1]
CID 57180216
(2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
CID 70690760
1-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-7-[4-(2-propan-2-ylphenyl)piperazin-1-yl]heptan-1-one
CID 118731354
(3R,3'S)-6',7'-difluoro-3',5-dimethylspiro[1H-indole-3,1'-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole]-2-one
CID 168280635
1-Benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
2-(4-Benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4839240
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide (CID 70682351) is (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide is CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is IIAXFKCBZXVXLS-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-27(2)25(31)23-17-20-5-3-4-6-22(20)29(23)24(30)13-16-28-14-11-19(12-15-28)18-7-9-21(26)10-8-18/h3-10,19,23H,11-17H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 423.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-[4-(4-fluorophenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 70682351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).