1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone

C24H30N4O3 — CID 58347728

IUPAC1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)N1CCN(C(=O)c2cccc(OCC3CCCCC3)c2)CC1
InChIInChI=1S/C24H30N4O3/c29-23(17-21-9-5-11-25-26-21)27-12-14-28(15-13-27)24(30)20-8-4-10-22(16-20)31-18-19-6-2-1-3-7-19/h4-5,8-11,16,19H,1-3,6-7,12-15,17-18H2
InChIKeyVWTCMJIMVPWXJR-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.96
Rot. Bonds6

About 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone

1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone (PubChem CID 58347728) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone.

Molecular Properties

Compound Name1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone
PubChem CID58347728
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)N1CCN(C(=O)c2cccc(OCC3CCCCC3)c2)CC1
InChIInChI=1S/C24H30N4O3/c29-23(17-21-9-5-11-25-26-21)27-12-14-28(15-13-27)24(30)20-8-4-10-22(16-20)31-18-19-6-2-1-3-7-19/h4-5,8-11,16,19H,1-3,6-7,12-15,17-18H2
InChIKeyVWTCMJIMVPWXJR-UHFFFAOYSA-N
XLogP2.96
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone with MolForge

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Related Compounds

1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347532
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347743
1-[4-[5-(cyclohexylmethoxy)pyridine-3-carbonyl]piperazin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123471923
3-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]pyrazine-2-carboxylic acid
CID 58347948
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
2-(2-chlorophenyl)-1-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 92900858
1-[(3R)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 92900742
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816
2-[3-(4-pyridazin-3-ylpiperazine-1-carbonyl)phenoxy]acetic acid
CID 119183766
[3-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533244

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone?
The IUPAC name of 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone (CID 58347728) is 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone.
What is the SMILES notation for 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone?
The canonical SMILES for 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone is O=C(Cc1cccnn1)N1CCN(C(=O)c2cccc(OCC3CCCCC3)c2)CC1.
What is the InChIKey of 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone?
The InChIKey is VWTCMJIMVPWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-23(17-21-9-5-11-25-26-21)27-12-14-28(15-13-27)24(30)20-8-4-10-22(16-20)31-18-19-6-2-1-3-7-19/h4-5,8-11,16,19H,1-3,6-7,12-15,17-18H2.
What are the key properties of 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone?
1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone has a molecular weight of 422.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone is sourced from PubChem (CID 58347728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).