4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide

C35H32N4O2 — CID 162718953

IUPAC4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide
SMILESCn1cc(C(=O)c2cccc3c2c2ccccc2n3C2CCN(Cc3ccc(C(N)=O)cc3)CC2)c2ccccc21
InChIInChI=1S/C35H32N4O2/c1-37-22-29(26-7-2-4-10-30(26)37)34(40)28-9-6-12-32-33(28)27-8-3-5-11-31(27)39(32)25-17-19-38(20-18-25)21-23-13-15-24(16-14-23)35(36)41/h2-16,22,25H,17-21H2,1H3,(H2,36,41)
InChIKeySDFOUSCFRLXESG-UHFFFAOYSA-N
MW540.67 g/mol
LogP6.45
Rot. Bonds6

About 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide

4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide (PubChem CID 162718953) has the molecular formula C35H32N4O2 and a molecular weight of 540.67 g/mol. Its IUPAC name is 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide
PubChem CID162718953
Molecular FormulaC35H32N4O2
Molecular Weight540.67 g/mol
Exact Mass540.25
IUPAC Name4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide
SMILESCn1cc(C(=O)c2cccc3c2c2ccccc2n3C2CCN(Cc3ccc(C(N)=O)cc3)CC2)c2ccccc21
InChIInChI=1S/C35H32N4O2/c1-37-22-29(26-7-2-4-10-30(26)37)34(40)28-9-6-12-32-33(28)27-8-3-5-11-31(27)39(32)25-17-19-38(20-18-25)21-23-13-15-24(16-14-23)35(36)41/h2-16,22,25H,17-21H2,1H3,(H2,36,41)
InChIKeySDFOUSCFRLXESG-UHFFFAOYSA-N
XLogP6.45
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide 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-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone
CID 175207125
2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide
CID 71239682
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
CID 10429753
3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
CID 10069100
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63248566
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119922608
1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
CID 166376440
2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone
CID 170857066
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide (CID 162718953) is 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide is Cn1cc(C(=O)c2cccc3c2c2ccccc2n3C2CCN(Cc3ccc(C(N)=O)cc3)CC2)c2ccccc21.
What is the InChIKey of 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide?
The InChIKey is SDFOUSCFRLXESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O2/c1-37-22-29(26-7-2-4-10-30(26)37)34(40)28-9-6-12-32-33(28)27-8-3-5-11-31(27)39(32)25-17-19-38(20-18-25)21-23-13-15-24(16-14-23)35(36)41/h2-16,22,25H,17-21H2,1H3,(H2,36,41).
What are the key properties of 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide?
4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide has a molecular weight of 540.67 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 162718953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).