1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid

C24H20ClN3O3 — CID 6217142

IUPAC1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C24H20ClN3O3/c25-18-7-3-1-6-16(18)21-22-17(15-5-2-4-8-19(15)26-22)13-20(27-21)23(29)28-11-9-14(10-12-28)24(30)31/h1-8,13-14,26H,9-12H2,(H,30,31)
InChIKeyIADWVZFLCAGSCW-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.97
Rot. Bonds3

About 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid

1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid (PubChem CID 6217142) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid
PubChem CID6217142
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C24H20ClN3O3/c25-18-7-3-1-6-16(18)21-22-17(15-5-2-4-8-19(15)26-22)13-20(27-21)23(29)28-11-9-14(10-12-28)24(30)31/h1-8,13-14,26H,9-12H2,(H,30,31)
InChIKeyIADWVZFLCAGSCW-UHFFFAOYSA-N
XLogP4.97
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630
3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 146382207
[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 10686284
1-(2-chlorophenyl)-N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 137314382
1-(2-benzylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175115962
1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 58211023
[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58211293
1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 15908835
N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide
CID 11612953
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
CID 119349827

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid (CID 6217142) is 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is IADWVZFLCAGSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c25-18-7-3-1-6-16(18)21-22-17(15-5-2-4-8-19(15)26-22)13-20(27-21)23(29)28-11-9-14(10-12-28)24(30)31/h1-8,13-14,26H,9-12H2,(H,30,31).
What are the key properties of 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid?
1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 433.90 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 6217142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).