(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide

C23H24FN3O2 — CID 41111390

IUPAC(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H24FN3O2/c24-19-8-2-4-10-21(19)26-23(29)17-6-5-13-27(15-17)22(28)12-11-16-14-25-20-9-3-1-7-18(16)20/h1-4,7-10,14,17,25H,5-6,11-13,15H2,(H,26,29)/t17-/m1/s1
InChIKeyIVOJUJWAGCTPKQ-QGZVFWFLSA-N
MW393.46 g/mol
LogP4.12
Rot. Bonds5

About (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide

(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 41111390) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
PubChem CID41111390
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H24FN3O2/c24-19-8-2-4-10-21(19)26-23(29)17-6-5-13-27(15-17)22(28)12-11-16-14-25-20-9-3-1-7-18(16)20/h1-4,7-10,14,17,25H,5-6,11-13,15H2,(H,26,29)/t17-/m1/s1
InChIKeyIVOJUJWAGCTPKQ-QGZVFWFLSA-N
XLogP4.12
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41130807
(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41118360
(3R)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816516
(3S)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816519
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280
N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 42649593
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide (CID 41111390) is (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide is O=C(Nc1ccccc1F)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is IVOJUJWAGCTPKQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-19-8-2-4-10-21(19)26-23(29)17-6-5-13-27(15-17)22(28)12-11-16-14-25-20-9-3-1-7-18(16)20/h1-4,7-10,14,17,25H,5-6,11-13,15H2,(H,26,29)/t17-/m1/s1.
What are the key properties of (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 41111390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).