N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C26H30FN3O2 — CID 42534943

IUPACN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H30FN3O2/c1-18-22(23-17-21(27)8-9-24(23)29-18)11-14-28-26(32)20-12-15-30(16-13-20)25(31)10-7-19-5-3-2-4-6-19/h2-6,8-9,17,20,29H,7,10-16H2,1H3,(H,28,32)
InChIKeyPBODJQFFOQYIGU-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 42534943) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID42534943
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H30FN3O2/c1-18-22(23-17-21(27)8-9-24(23)29-18)11-14-28-26(32)20-12-15-30(16-13-20)25(31)10-7-19-5-3-2-4-6-19/h2-6,8-9,17,20,29H,7,10-16H2,1H3,(H,28,32)
InChIKeyPBODJQFFOQYIGU-UHFFFAOYSA-N
XLogP4.15
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 42534718
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119444991
2-[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242488
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113086180
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55633459
ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate
CID 31896980
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 43952983
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 42534943) is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is PBODJQFFOQYIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-18-22(23-17-21(27)8-9-24(23)29-18)11-14-28-26(32)20-12-15-30(16-13-20)25(31)10-7-19-5-3-2-4-6-19/h2-6,8-9,17,20,29H,7,10-16H2,1H3,(H,28,32).
What are the key properties of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 42534943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).