[1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone

C20H26FN3O2 — CID 166783828

IUPAC[1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCN(C(=O)c2ccc3c(ccn3CC(=CF)CN)c2)CC1
InChIInChI=1S/C20H26FN3O2/c1-20(26-2)6-9-23(10-7-20)19(25)17-3-4-18-16(11-17)5-8-24(18)14-15(12-21)13-22/h3-5,8,11-12H,6-7,9-10,13-14,22H2,1-2H3
InChIKeyGDRBUVHIINVHKS-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.09
Rot. Bonds5

About [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone

[1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 166783828) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID166783828
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name[1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCN(C(=O)c2ccc3c(ccn3CC(=CF)CN)c2)CC1
InChIInChI=1S/C20H26FN3O2/c1-20(26-2)6-9-23(10-7-20)19(25)17-3-4-18-16(11-17)5-8-24(18)14-15(12-21)13-22/h3-5,8,11-12H,6-7,9-10,13-14,22H2,1-2H3
InChIKeyGDRBUVHIINVHKS-UHFFFAOYSA-N
XLogP3.09
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone;2-[(Z)-3-fluoro-2-[[5-(4-methoxy-4-methylpiperidine-1-carbonyl)indol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione;hydrochloride
CID 163949866
[1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 154637486
[4-[4-[(4-bromophenyl)-(ethoxyamino)methylidene]piperidin-1-yl]-4-methylpiperidin-1-yl]-(1-ethylindol-5-yl)methanone
CID 91300383
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(1-ethylindol-5-yl)methanone
CID 11399059
2-[(Z)-2-[[5-(azetidine-1-carbonyl)indol-1-yl]methyl]-3-fluoroprop-2-enyl]isoindole-1,3-dione;azetidin-1-yl(1H-indol-5-yl)methanone;2-[(E)-2-(bromomethyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione
CID 163636557
1-(2-oxopropyl)indole-5-carboxylic acid
CID 90317816
(4-methoxy-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 146125670
[3-(difluoromethoxy)phenyl]-[(4S)-4-methoxy-4-methylazepan-1-yl]methanone
CID 124889245
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 107160164
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(1-methylindol-5-yl)methanone
CID 11157318
[4-[4-[(4-bromophenyl)-(ethoxyamino)methylidene]piperidin-1-yl]-4-methylpiperidin-1-yl]-(1-ethylindol-6-yl)methanone
CID 91034014

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone (CID 166783828) is [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone is COC1(C)CCN(C(=O)c2ccc3c(ccn3CC(=CF)CN)c2)CC1.
What is the InChIKey of [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is GDRBUVHIINVHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-20(26-2)6-9-23(10-7-20)19(25)17-3-4-18-16(11-17)5-8-24(18)14-15(12-21)13-22/h3-5,8,11-12H,6-7,9-10,13-14,22H2,1-2H3.
What are the key properties of [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone?
[1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 359.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 166783828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).