4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid

C28H28N2O2 — CID 59506617

IUPAC4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid
SMILESCCn1c2ccccc2c2cc(CN3CCC(=Cc4ccc(C(=O)O)cc4)CC3)ccc21
InChIInChI=1S/C28H28N2O2/c1-2-30-26-6-4-3-5-24(26)25-18-22(9-12-27(25)30)19-29-15-13-21(14-16-29)17-20-7-10-23(11-8-20)28(31)32/h3-12,17-18H,2,13-16,19H2,1H3,(H,31,32)
InChIKeyIFPRJYUNWZYYII-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.19
Rot. Bonds5

About 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid

4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid (PubChem CID 59506617) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid
PubChem CID59506617
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid
SMILESCCn1c2ccccc2c2cc(CN3CCC(=Cc4ccc(C(=O)O)cc4)CC3)ccc21
InChIInChI=1S/C28H28N2O2/c1-2-30-26-6-4-3-5-24(26)25-18-22(9-12-27(25)30)19-29-15-13-21(14-16-29)17-20-7-10-23(11-8-20)28(31)32/h3-12,17-18H,2,13-16,19H2,1H3,(H,31,32)
InChIKeyIFPRJYUNWZYYII-UHFFFAOYSA-N
XLogP6.19
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid with MolForge

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Related Compounds

1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 89223668
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366842
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 17366841
1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 6733236
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
CID 163326617
3-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole;oxalic acid
CID 2874389

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid?
The IUPAC name of 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid (CID 59506617) is 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid is CCn1c2ccccc2c2cc(CN3CCC(=Cc4ccc(C(=O)O)cc4)CC3)ccc21.
What is the InChIKey of 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid?
The InChIKey is IFPRJYUNWZYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-2-30-26-6-4-3-5-24(26)25-18-22(9-12-27(25)30)19-29-15-13-21(14-16-29)17-20-7-10-23(11-8-20)28(31)32/h3-12,17-18H,2,13-16,19H2,1H3,(H,31,32).
What are the key properties of 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid?
4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid has a molecular weight of 424.54 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid is sourced from PubChem (CID 59506617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).