N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide

C20H24FN3O2 — CID 91953683

IUPACN-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C20H24FN3O2/c1-12-16(17-9-14(21)4-7-18(17)23-12)10-19(25)24(15-5-6-15)20(26)13-3-2-8-22-11-13/h4,7,9,13,15,22-23H,2-3,5-6,8,10-11H2,1H3
InChIKeyCYUFCFCLZMEZKC-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.68
Rot. Bonds4

About N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide

N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 91953683) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID91953683
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C20H24FN3O2/c1-12-16(17-9-14(21)4-7-18(17)23-12)10-19(25)24(15-5-6-15)20(26)13-3-2-8-22-11-13/h4,7,9,13,15,22-23H,2-3,5-6,8,10-11H2,1H3
InChIKeyCYUFCFCLZMEZKC-UHFFFAOYSA-N
XLogP2.68
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 135099867
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)acetamide
CID 134005288
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 91953678
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
(3R,4R)-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]-4-hydroxypiperidine-3-carboxylic acid
CID 165417203
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide
CID 63641936
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460381

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide (CID 91953683) is N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C(=O)C1CCCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is CYUFCFCLZMEZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-12-16(17-9-14(21)4-7-18(17)23-12)10-19(25)24(15-5-6-15)20(26)13-3-2-8-22-11-13/h4,7,9,13,15,22-23H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 91953683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).