1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide

C26H25ClN4O2 — CID 118726493

IUPAC1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CCN(C(=O)c2cccc3c2[nH]c2ccc(Cl)cc23)CC1
InChIInChI=1S/C26H25ClN4O2/c27-19-4-5-23-22(16-19)20-2-1-3-21(24(20)30-23)26(33)31-14-9-18(10-15-31)25(32)29-13-8-17-6-11-28-12-7-17/h1-7,11-12,16,18,30H,8-10,13-15H2,(H,29,32)
InChIKeyLNYGRBVKUJVBHT-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.58
Rot. Bonds5

About 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide

1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 118726493) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
PubChem CID118726493
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CCN(C(=O)c2cccc3c2[nH]c2ccc(Cl)cc23)CC1
InChIInChI=1S/C26H25ClN4O2/c27-19-4-5-23-22(16-19)20-2-1-3-21(24(20)30-23)26(33)31-14-9-18(10-15-31)25(32)29-13-8-17-6-11-28-12-7-17/h1-7,11-12,16,18,30H,8-10,13-15H2,(H,29,32)
InChIKeyLNYGRBVKUJVBHT-UHFFFAOYSA-N
XLogP4.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (CID 118726493) is 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is O=C(NCCc1ccncc1)C1CCN(C(=O)c2cccc3c2[nH]c2ccc(Cl)cc23)CC1.
What is the InChIKey of 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is LNYGRBVKUJVBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c27-19-4-5-23-22(16-19)20-2-1-3-21(24(20)30-23)26(33)31-14-9-18(10-15-31)25(32)29-13-8-17-6-11-28-12-7-17/h1-7,11-12,16,18,30H,8-10,13-15H2,(H,29,32).
What are the key properties of 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 460.97 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 118726493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).