[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone

C29H29F2N3O3 — CID 155181163

IUPAC[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone
SMILESCc1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(F)F)cc5)CC4)n(C)c3c2)cc1
InChIInChI=1S/C29H29F2N3O3/c1-20-3-8-23(9-4-20)36-25-12-7-22-17-27(32(2)26(22)18-25)28(35)34-15-13-33(14-16-34)19-21-5-10-24(11-6-21)37-29(30)31/h3-12,17-18,29H,13-16,19H2,1-2H3
InChIKeySUCCZKVVTBXVCG-UHFFFAOYSA-N
MW505.57 g/mol
LogP5.84
Rot. Bonds7

About [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone

[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone (PubChem CID 155181163) has the molecular formula C29H29F2N3O3 and a molecular weight of 505.57 g/mol. Its IUPAC name is [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone.

Molecular Properties

Compound Name[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone
PubChem CID155181163
Molecular FormulaC29H29F2N3O3
Molecular Weight505.57 g/mol
Exact Mass505.22
IUPAC Name[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone
SMILESCc1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(F)F)cc5)CC4)n(C)c3c2)cc1
InChIInChI=1S/C29H29F2N3O3/c1-20-3-8-23(9-4-20)36-25-12-7-22-17-27(32(2)26(22)18-25)28(35)34-15-13-33(14-16-34)19-21-5-10-24(11-6-21)37-29(30)31/h3-12,17-18,29H,13-16,19H2,1-2H3
InChIKeySUCCZKVVTBXVCG-UHFFFAOYSA-N
XLogP5.84
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.57
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone with MolForge

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Related Compounds

N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methyl-4-(trifluoromethyl)benzamide;hydrochloride
CID 87473174
N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide
CID 87472290
3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide
CID 68500391
N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-2,3,5-trifluoro-N,4-dimethylbenzamide
CID 87474607
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
[4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 141331069
N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride
CID 87474604
4-[[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]sulfinyl]benzoic acid
CID 154392093
[5-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxypyrazin-2-yl]methyl formate
CID 164936664
2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
CID 87473061
(Z)-but-2-enedioic acid;N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 25256149
N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]cyclopropanesulfonamide
CID 90701392

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone?
The IUPAC name of [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone (CID 155181163) is [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone.
What is the SMILES notation for [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone?
The canonical SMILES for [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone is Cc1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(F)F)cc5)CC4)n(C)c3c2)cc1.
What is the InChIKey of [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone?
The InChIKey is SUCCZKVVTBXVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N3O3/c1-20-3-8-23(9-4-20)36-25-12-7-22-17-27(32(2)26(22)18-25)28(35)34-15-13-33(14-16-34)19-21-5-10-24(11-6-21)37-29(30)31/h3-12,17-18,29H,13-16,19H2,1-2H3.
What are the key properties of [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone?
[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone has a molecular weight of 505.57 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone is sourced from PubChem (CID 155181163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).