1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one

C27H25Cl2FN2O3 — CID 159035441

IUPAC1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)n3ccc4cc(C5CC5)cc(F)c43)c2Cl)CC1
InChIInChI=1S/C27H25Cl2FN2O3/c1-15(33)12-16-6-9-31(10-7-16)26(34)20-4-5-21(28)23(24(20)29)27(35)32-11-8-18-13-19(17-2-3-17)14-22(30)25(18)32/h4-5,8,11,13-14,16-17H,2-3,6-7,9-10,12H2,1H3
InChIKeyUXHHHNARZSAGOU-UHFFFAOYSA-N
MW515.41 g/mol
LogP6.48
Rot. Bonds5

About 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one

1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 159035441) has the molecular formula C27H25Cl2FN2O3 and a molecular weight of 515.41 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one
PubChem CID159035441
Molecular FormulaC27H25Cl2FN2O3
Molecular Weight515.41 g/mol
Exact Mass514.12
IUPAC Name1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)n3ccc4cc(C5CC5)cc(F)c43)c2Cl)CC1
InChIInChI=1S/C27H25Cl2FN2O3/c1-15(33)12-16-6-9-31(10-7-16)26(34)20-4-5-21(28)23(24(20)29)27(35)32-11-8-18-13-19(17-2-3-17)14-22(30)25(18)32/h4-5,8,11,13-14,16-17H,2-3,6-7,9-10,12H2,1H3
InChIKeyUXHHHNARZSAGOU-UHFFFAOYSA-N
XLogP6.48
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.41
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one with MolForge

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Related Compounds

1-[1-[1-[2-chloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]-4-methylphenyl]ethenyl]piperidin-4-yl]propan-2-one
CID 163869218
1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
CID 160545733
[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone
CID 158195577
1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone
CID 158943657
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
2-[1-(2-chloro-4,5-difluorobenzoyl)piperidin-4-yl]acetic acid
CID 78979755
1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one
CID 159035443
4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one
CID 160979594
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
[2,6-dichloro-3-(1-hydroxyethenyl)phenyl]-[7-methyl-5-(trifluoromethyl)indol-1-yl]methanone
CID 145206605

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one?
The IUPAC name of 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one (CID 159035441) is 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one?
The canonical SMILES for 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one is CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)n3ccc4cc(C5CC5)cc(F)c43)c2Cl)CC1.
What is the InChIKey of 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one?
The InChIKey is UXHHHNARZSAGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2FN2O3/c1-15(33)12-16-6-9-31(10-7-16)26(34)20-4-5-21(28)23(24(20)29)27(35)32-11-8-18-13-19(17-2-3-17)14-22(30)25(18)32/h4-5,8,11,13-14,16-17H,2-3,6-7,9-10,12H2,1H3.
What are the key properties of 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one?
1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 515.41 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 159035441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).