[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone

C25H29BrN2O — CID 118627902

IUPAC[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone
SMILESCc1cc(C2CCN(C(=O)C3CC3)CC2)ccc1NC1CCc2cccc(Br)c21
InChIInChI=1S/C25H29BrN2O/c1-16-15-20(17-11-13-28(14-12-17)25(29)19-5-6-19)8-9-22(16)27-23-10-7-18-3-2-4-21(26)24(18)23/h2-4,8-9,15,17,19,23,27H,5-7,10-14H2,1H3
InChIKeyWTMMHMLWJSCGEN-UHFFFAOYSA-N
MW453.42 g/mol
LogP5.97
Rot. Bonds4

About [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone

[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 118627902) has the molecular formula C25H29BrN2O and a molecular weight of 453.42 g/mol. Its IUPAC name is [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID118627902
Molecular FormulaC25H29BrN2O
Molecular Weight453.42 g/mol
Exact Mass452.15
IUPAC Name[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone
SMILESCc1cc(C2CCN(C(=O)C3CC3)CC2)ccc1NC1CCc2cccc(Br)c21
InChIInChI=1S/C25H29BrN2O/c1-16-15-20(17-11-13-28(14-12-17)25(29)19-5-6-19)8-9-22(16)27-23-10-7-18-3-2-4-21(26)24(18)23/h2-4,8-9,15,17,19,23,27H,5-7,10-14H2,1H3
InChIKeyWTMMHMLWJSCGEN-UHFFFAOYSA-N
XLogP5.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone 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

1-[3-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 118627950
ethyl 1-[3-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 130211482
[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone
CID 118627923
1-[6-[3-[4-(1-cyclopropylpiperidin-4-yl)-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 118627974
1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium
CID 159697934
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
1-[6-[3-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 130224629
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
2-[4-(4-bromo-3-methylphenyl)piperidine-1-carbonyl]spiro[3.3]heptane-6-carbonitrile
CID 166226302
1-[[6-[3-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]sulfanyl]-5-methylpyrazole-4-carboxylic acid
CID 138498199
methyl 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzoate
CID 176580481
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone (CID 118627902) is [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone is Cc1cc(C2CCN(C(=O)C3CC3)CC2)ccc1NC1CCc2cccc(Br)c21.
What is the InChIKey of [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is WTMMHMLWJSCGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN2O/c1-16-15-20(17-11-13-28(14-12-17)25(29)19-5-6-19)8-9-22(16)27-23-10-7-18-3-2-4-21(26)24(18)23/h2-4,8-9,15,17,19,23,27H,5-7,10-14H2,1H3.
What are the key properties of [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone?
[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 453.42 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 118627902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).