methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate

C19H21FN2O3 — CID 91660760

IUPACmethyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C19H21FN2O3/c1-25-18(24)19(6-7-19)17(23)22-8-4-12(5-9-22)15-11-21-16-10-13(20)2-3-14(15)16/h2-3,10-12,21H,4-9H2,1H3
InChIKeyNGOHGIZEXQTMOZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.97
Rot. Bonds3

About methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate

methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate (PubChem CID 91660760) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
PubChem CID91660760
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Namemethyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C19H21FN2O3/c1-25-18(24)19(6-7-19)17(23)22-8-4-12(5-9-22)15-11-21-16-10-13(20)2-3-14(15)16/h2-3,10-12,21H,4-9H2,1H3
InChIKeyNGOHGIZEXQTMOZ-UHFFFAOYSA-N
XLogP2.97
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
CID 166249941
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 166248374
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-methyl-2,3-dihydropyrazin-2-yl)methanone
CID 144855100
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate (CID 91660760) is methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate is COC(=O)C1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1.
What is the InChIKey of methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate?
The InChIKey is NGOHGIZEXQTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-18(24)19(6-7-19)17(23)22-8-4-12(5-9-22)15-11-21-16-10-13(20)2-3-14(15)16/h2-3,10-12,21H,4-9H2,1H3.
What are the key properties of methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate?
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 91660760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).