(1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate

C29H27N3O2 — CID 19367653

IUPAC(1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCC1=c2c(cc3c(c2C)N=c2ccccc2=3)N=C1C(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H27N3O2/c1-18-26-19(2)28(31-25(26)16-23-22-10-6-7-11-24(22)30-27(18)23)29(33)34-21-12-14-32(15-13-21)17-20-8-4-3-5-9-20/h3-11,16,21H,12-15,17H2,1-2H3
InChIKeyDJLRDZDPIVUGEL-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.01
Rot. Bonds4

About (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate

(1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate (PubChem CID 19367653) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate
PubChem CID19367653
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name(1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCC1=c2c(cc3c(c2C)N=c2ccccc2=3)N=C1C(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H27N3O2/c1-18-26-19(2)28(31-25(26)16-23-22-10-6-7-11-24(22)30-27(18)23)29(33)34-21-12-14-32(15-13-21)17-20-8-4-3-5-9-20/h3-11,16,21H,12-15,17H2,1-2H3
InChIKeyDJLRDZDPIVUGEL-UHFFFAOYSA-N
XLogP4.01
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzylpiperidin-4-yl) 2-methylbenzoate
CID 18919792
[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919781
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
(1-benzylpiperidin-4-yl) 3-iodobenzoate;hydrochloride
CID 18919861
(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138
(1-benzylpiperidin-4-yl) 5-nitropyridine-2-carboxylate
CID 18919766
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919932
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
5-O-(1-benzylpiperidin-4-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 54431341
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate?
The IUPAC name of (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate (CID 19367653) is (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate?
The canonical SMILES for (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate is CC1=c2c(cc3c(c2C)N=c2ccccc2=3)N=C1C(=O)OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate?
The InChIKey is DJLRDZDPIVUGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c1-18-26-19(2)28(31-25(26)16-23-22-10-6-7-11-24(22)30-27(18)23)29(33)34-21-12-14-32(15-13-21)17-20-8-4-3-5-9-20/h3-11,16,21H,12-15,17H2,1-2H3.
What are the key properties of (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate?
(1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate has a molecular weight of 449.55 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate is sourced from PubChem (CID 19367653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).