CID 95792549

C25H29N3O4 — CID 95792549

IUPAC—
SMILESCCOc1ccc(CC(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C25H29N3O4/c1-2-31-19-9-7-18(8-10-19)15-22(29)28-13-11-24(12-14-28)16-25(17-32-24)26-21-6-4-3-5-20(21)23(30)27-25/h3-10,26H,2,11-17H2,1H3,(H,27,30)/t25-/m1/s1
InChIKeyONHUHCVRDLZHQK-RUZDIDTESA-N
MW435.52 g/mol
LogP2.96
Rot. Bonds4

About CID 95792549

CID 95792549 (PubChem CID 95792549) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol.

Molecular Properties

Compound NameCID 95792549
PubChem CID95792549
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name—
SMILESCCOc1ccc(CC(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C25H29N3O4/c1-2-31-19-9-7-18(8-10-19)15-22(29)28-13-11-24(12-14-28)16-25(17-32-24)26-21-6-4-3-5-20(21)23(30)27-25/h3-10,26H,2,11-17H2,1H3,(H,27,30)/t25-/m1/s1
InChIKeyONHUHCVRDLZHQK-RUZDIDTESA-N
XLogP2.96
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
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methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
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1'-[2-(4-methylsulfonylphenyl)acetyl]spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
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1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
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ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
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2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of CID 95792549?
The IUPAC name of CID 95792549 (CID 95792549) is not available.
What is the SMILES notation for CID 95792549?
The canonical SMILES for CID 95792549 is CCOc1ccc(CC(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)cc1.
What is the InChIKey of CID 95792549?
The InChIKey is ONHUHCVRDLZHQK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29N3O4/c1-2-31-19-9-7-18(8-10-19)15-22(29)28-13-11-24(12-14-28)16-25(17-32-24)26-21-6-4-3-5-20(21)23(30)27-25/h3-10,26H,2,11-17H2,1H3,(H,27,30)/t25-/m1/s1.
What are the key properties of CID 95792549?
CID 95792549 has a molecular weight of 435.52 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 95792549 is sourced from PubChem (CID 95792549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).