[4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride

C25H28Cl2F3N3O3 — CID 162316904

IUPAC[4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride
SMILESCOCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3Cl)CC2)c2cccc(OC(F)(F)F)c21.Cl
InChIInChI=1S/C25H27ClF3N3O3.ClH/c1-34-12-11-32-15-20(18-3-2-4-22(23(18)32)35-25(27,28)29)24(33)31-9-7-17(8-10-31)19-13-16(14-30)5-6-21(19)26;/h2-6,13,15,17H,7-12,14,30H2,1H3;1H
InChIKeyZIOSYEVMKPBRCE-UHFFFAOYSA-N
MW546.42 g/mol
LogP5.74
Rot. Bonds7

About [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride

[4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride (PubChem CID 162316904) has the molecular formula C25H28Cl2F3N3O3 and a molecular weight of 546.42 g/mol. Its IUPAC name is [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride
PubChem CID162316904
Molecular FormulaC25H28Cl2F3N3O3
Molecular Weight546.42 g/mol
Exact Mass545.15
IUPAC Name[4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride
SMILESCOCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3Cl)CC2)c2cccc(OC(F)(F)F)c21.Cl
InChIInChI=1S/C25H27ClF3N3O3.ClH/c1-34-12-11-32-15-20(18-3-2-4-22(23(18)32)35-25(27,28)29)24(33)31-9-7-17(8-10-31)19-13-16(14-30)5-6-21(19)26;/h2-6,13,15,17H,7-12,14,30H2,1H3;1H
InChIKeyZIOSYEVMKPBRCE-UHFFFAOYSA-N
XLogP5.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.42
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 87327330
2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone
CID 86671580
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5,6-dimethoxy-1-(2-methoxyethyl)indol-3-yl]methanone
CID 66973708
2-fluoro-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 174660803
2,2,2-trifluoro-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 46175650
2,2,2-trifluoro-N-[[4-fluoro-3-[8-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indole-3-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]phenyl]methyl]acetamide
CID 86671088
N-[[4-butoxy-3-[1-[1-(2-methoxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 86671678
[7-chloro-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-[4-[2-fluoro-5-(iodomethyl)phenyl]piperidin-1-yl]methanone
CID 88940946
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[4-fluoro-1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methanone;hydrochloride
CID 87327042
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]-[7-methyl-1-(3-phenylpropyl)indol-3-yl]methanone
CID 53258372
[4-[5-(aminomethyl)-2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-[1-(2-methoxyethyl)-7-methylindol-3-yl]methanone;hydrochloride
CID 162313067

Frequently Asked Questions

What is the IUPAC name of [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride?
The IUPAC name of [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride (CID 162316904) is [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride.
What is the SMILES notation for [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride?
The canonical SMILES for [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride is COCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3Cl)CC2)c2cccc(OC(F)(F)F)c21.Cl.
What is the InChIKey of [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride?
The InChIKey is ZIOSYEVMKPBRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF3N3O3.ClH/c1-34-12-11-32-15-20(18-3-2-4-22(23(18)32)35-25(27,28)29)24(33)31-9-7-17(8-10-31)19-13-16(14-30)5-6-21(19)26;/h2-6,13,15,17H,7-12,14,30H2,1H3;1H.
What are the key properties of [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride?
[4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride has a molecular weight of 546.42 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 162316904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).