[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone

C24H28FN3O2 — CID 163426764

IUPAC[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
SMILESCOCCn1c(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)cc2ccccc21
InChIInChI=1S/C24H28FN3O2/c1-30-13-12-28-22-5-3-2-4-19(22)15-23(28)24(29)27-10-8-18(9-11-27)20-14-17(16-26)6-7-21(20)25/h2-7,14-15,18H,8-13,16,26H2,1H3
InChIKeyANEOIJCOCKWUBE-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.91
Rot. Bonds6

About [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone

[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone (PubChem CID 163426764) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone.

Molecular Properties

Compound Name[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
PubChem CID163426764
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
SMILESCOCCn1c(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)cc2ccccc21
InChIInChI=1S/C24H28FN3O2/c1-30-13-12-28-22-5-3-2-4-19(22)15-23(28)24(29)27-10-8-18(9-11-27)20-14-17(16-26)6-7-21(20)25/h2-7,14-15,18H,8-13,16,26H2,1H3
InChIKeyANEOIJCOCKWUBE-UHFFFAOYSA-N
XLogP3.91
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[5-(aminomethyl)-2-fluorophenyl]piperidine-1-carbonyl]-1-(2-methoxyethyl)-N,N-dimethylindole-4-carboxamide
CID 50898456
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5,6-dimethoxy-1-(2-methoxyethyl)indol-3-yl]methanone
CID 66973708
N-[3-[4-[5-(aminomethyl)-2-fluorophenyl]piperidine-1-carbonyl]-1-(2-methoxyethyl)indol-4-yl]oxane-4-carboxamide
CID 67261737
[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 138005082
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-phenylethyl)indol-3-yl]methanone
CID 67255402
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(1-phenylethyl)indol-3-yl]methanone
CID 172751087
3-[4-[2-fluoro-5-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]piperidine-1-carbonyl]-1-(2-methoxyethyl)indole-2-carboxamide
CID 173470745
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[4-fluoro-1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methanone;hydrochloride
CID 87327042
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanone
CID 67257983
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)indol-3-yl]methanone
CID 53258378
N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
CID 157285190
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[7-methyl-1-(3-phenylpropyl)indol-3-yl]methanone
CID 53258372

Frequently Asked Questions

What is the IUPAC name of [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone?
The IUPAC name of [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone (CID 163426764) is [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone.
What is the SMILES notation for [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone?
The canonical SMILES for [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone is COCCn1c(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)cc2ccccc21.
What is the InChIKey of [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone?
The InChIKey is ANEOIJCOCKWUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-30-13-12-28-22-5-3-2-4-19(22)15-23(28)24(29)27-10-8-18(9-11-27)20-14-17(16-26)6-7-21(20)25/h2-7,14-15,18H,8-13,16,26H2,1H3.
What are the key properties of [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone?
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone has a molecular weight of 409.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone is sourced from PubChem (CID 163426764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).