methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate

C23H26N2O3 — CID 56651355

IUPACmethyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate
SMILESCOC(=O)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26N2O3/c1-28-22(26)10-7-15-25-20-9-4-3-8-18(20)19-16-17(11-12-21(19)25)23(27)24-13-5-2-6-14-24/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3
InChIKeyUDIVXDRBTSJOGV-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.37
Rot. Bonds5

About methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate

methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate (PubChem CID 56651355) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate
PubChem CID56651355
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Namemethyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate
SMILESCOC(=O)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26N2O3/c1-28-22(26)10-7-15-25-20-9-4-3-8-18(20)19-16-17(11-12-21(19)25)23(27)24-13-5-2-6-14-24/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3
InChIKeyUDIVXDRBTSJOGV-UHFFFAOYSA-N
XLogP4.37
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate?
The IUPAC name of methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate (CID 56651355) is methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate.
What is the SMILES notation for methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate?
The canonical SMILES for methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate is COC(=O)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate?
The InChIKey is UDIVXDRBTSJOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-28-22(26)10-7-15-25-20-9-4-3-8-18(20)19-16-17(11-12-21(19)25)23(27)24-13-5-2-6-14-24/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3.
What are the key properties of methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate?
methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate has a molecular weight of 378.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(piperidine-1-carbonyl)carbazol-9-yl]butanoate is sourced from PubChem (CID 56651355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).