1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C21H23ClN4O3 — CID 86973530

IUPAC1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cn1
InChIInChI=1S/C21H23ClN4O3/c1-2-26-12-18(11-23-26)24-20(27)14-5-7-25(8-6-14)21(28)16-9-15-10-17(22)3-4-19(15)29-13-16/h3-4,9-12,14H,2,5-8,13H2,1H3,(H,24,27)
InChIKeyRHBZBWJLQYWZAJ-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.21
Rot. Bonds4

About 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 86973530) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID86973530
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cn1
InChIInChI=1S/C21H23ClN4O3/c1-2-26-12-18(11-23-26)24-20(27)14-5-7-25(8-6-14)21(28)16-9-15-10-17(22)3-4-19(15)29-13-16/h3-4,9-12,14H,2,5-8,13H2,1H3,(H,24,27)
InChIKeyRHBZBWJLQYWZAJ-UHFFFAOYSA-N
XLogP3.21
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86949523
1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947532
(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625169
1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882198
1-[5-bromo-2-(dimethylamino)pyridine-3-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947533
1-(5-chloropyrimidin-2-yl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 71980297
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86865505
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 47813826
N-(1-ethylpyrazol-4-yl)-1-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide
CID 86882199
1-[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 26978496

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 86973530) is 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cn1.
What is the InChIKey of 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is RHBZBWJLQYWZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-2-26-12-18(11-23-26)24-20(27)14-5-7-25(8-6-14)21(28)16-9-15-10-17(22)3-4-19(15)29-13-16/h3-4,9-12,14H,2,5-8,13H2,1H3,(H,24,27).
What are the key properties of 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86973530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).