1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone

C26H33N3O3 — CID 58347532

IUPAC1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCN(C(=O)c2cccc(OCC3CCCCCC3)c2)CC1
InChIInChI=1S/C26H33N3O3/c30-25(17-22-9-6-12-27-19-22)28-13-15-29(16-14-28)26(31)23-10-5-11-24(18-23)32-20-21-7-3-1-2-4-8-21/h5-6,9-12,18-19,21H,1-4,7-8,13-17,20H2
InChIKeyGKHXLCIQECPBJV-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.96
Rot. Bonds6

About 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone

1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 58347532) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
PubChem CID58347532
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCN(C(=O)c2cccc(OCC3CCCCCC3)c2)CC1
InChIInChI=1S/C26H33N3O3/c30-25(17-22-9-6-12-27-19-22)28-13-15-29(16-14-28)26(31)23-10-5-11-24(18-23)32-20-21-7-3-1-2-4-8-21/h5-6,9-12,18-19,21H,1-4,7-8,13-17,20H2
InChIKeyGKHXLCIQECPBJV-UHFFFAOYSA-N
XLogP3.96
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[4-[5-(cyclohexylmethoxy)pyridine-3-carbonyl]piperazin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123471923
1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone
CID 58347728
1-[4-[3-(cyclohexylmethoxy)-4-methylbenzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123874540
3-[[3-[4-(2-pyridin-3-ylacetyl)piperazine-1-carbonyl]phenoxy]methyl]benzoic acid
CID 58347609
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886
oxalic acid;1-[4-[3-[2-(oxan-4-yl)ethoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 123342875
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347743
1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 58347929
3-[4-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]phenyl]propanoic acid
CID 58347545
3-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]pyrazine-2-carboxylic acid
CID 58347948

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone (CID 58347532) is 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCN(C(=O)c2cccc(OCC3CCCCCC3)c2)CC1.
What is the InChIKey of 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is GKHXLCIQECPBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-25(17-22-9-6-12-27-19-22)28-13-15-29(16-14-28)26(31)23-10-5-11-24(18-23)32-20-21-7-3-1-2-4-8-21/h5-6,9-12,18-19,21H,1-4,7-8,13-17,20H2.
What are the key properties of 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone?
1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 435.57 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 58347532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).