6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione

C23H23N3O3 — CID 95556226

IUPAC6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C23H23N3O3/c27-20-11-17(24-23(29)25-20)13-26-10-2-4-16(12-26)22(28)19-9-8-15-7-6-14-3-1-5-18(19)21(14)15/h1,3,5,8-9,11,16H,2,4,6-7,10,12-13H2,(H2,24,25,27,29)/t16-/m0/s1
InChIKeyFRCOFJDUDNFGAE-INIZCTEOSA-N
MW389.46 g/mol
LogP2.41
Rot. Bonds4

About 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 95556226) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID95556226
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C23H23N3O3/c27-20-11-17(24-23(29)25-20)13-26-10-2-4-16(12-26)22(28)19-9-8-15-7-6-14-3-1-5-18(19)21(14)15/h1,3,5,8-9,11,16H,2,4,6-7,10,12-13H2,(H2,24,25,27,29)/t16-/m0/s1
InChIKeyFRCOFJDUDNFGAE-INIZCTEOSA-N
XLogP2.41
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione (CID 95556226) is 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione is O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FRCOFJDUDNFGAE-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-20-11-17(24-23(29)25-20)13-26-10-2-4-16(12-26)22(28)19-9-8-15-7-6-14-3-1-5-18(19)21(14)15/h1,3,5,8-9,11,16H,2,4,6-7,10,12-13H2,(H2,24,25,27,29)/t16-/m0/s1.
What are the key properties of 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95556226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).