4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide

C24H31N5O4 — CID 67313518

IUPAC4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C24H31N5O4/c30-22-10-9-21(26-27-22)25-24(32)29-14-12-28(13-15-29)23(31)19-7-4-8-20(17-19)33-16-11-18-5-2-1-3-6-18/h4,7-10,17-18H,1-3,5-6,11-16H2,(H,27,30)(H,25,26,32)
InChIKeyQHYZJHPEWPQGNU-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.11
Rot. Bonds6

About 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide

4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 67313518) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
PubChem CID67313518
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C24H31N5O4/c30-22-10-9-21(26-27-22)25-24(32)29-14-12-28(13-15-29)23(31)19-7-4-8-20(17-19)33-16-11-18-5-2-1-3-6-18/h4,7-10,17-18H,1-3,5-6,11-16H2,(H,27,30)(H,25,26,32)
InChIKeyQHYZJHPEWPQGNU-UHFFFAOYSA-N
XLogP3.11
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-[3-(2-cyclohexylethoxy)benzoyl]piperazine-1-carboxamide
CID 88927150
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347743
N-(6-oxo-1H-pyridazin-3-yl)-3-(piperidine-1-carbonyl)benzamide
CID 146105541
[4-(3-amino-1,2,4-triazole-4-carbonyl)piperazin-1-yl]-[3-(2-cyclohexylethoxy)phenyl]methanone
CID 24803138
3-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]pyrazine-2-carboxylic acid
CID 58347948
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887313
3-[4-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]phenyl]propanoic acid
CID 58347545
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887249
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (CID 67313518) is 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is O=C(Nc1ccc(=O)[nH]n1)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1.
What is the InChIKey of 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is QHYZJHPEWPQGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c30-22-10-9-21(26-27-22)25-24(32)29-14-12-28(13-15-29)23(31)19-7-4-8-20(17-19)33-16-11-18-5-2-1-3-6-18/h4,7-10,17-18H,1-3,5-6,11-16H2,(H,27,30)(H,25,26,32).
What are the key properties of 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 67313518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).