4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C20H27N5O2 — CID 95717493

About 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 95717493) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
• PubChem CID: 95717493
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
• SMILES: Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CC1
• InChI: InChI=1S/C20H27N5O2/c1-15-5-2-3-7-18(15)24-11-9-23(10-12-24)16-6-4-8-25(14-16)19(26)17-13-21-20(27)22-17/h2-3,5,7,13,16H,4,6,8-12,14H2,1H3,(H2,21,22,27)/t16-/m0/s1
• InChIKey: OPZHMVNGKYANEB-INIZCTEOSA-N
• XLogP: 1.44
• TPSA: 75.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 95717493) is 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CC1.

What is the InChIKey of 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?

The InChIKey is OPZHMVNGKYANEB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-5-2-3-7-18(15)24-11-9-23(10-12-24)16-6-4-8-25(14-16)19(26)17-13-21-20(27)22-17/h2-3,5,7,13,16H,4,6,8-12,14H2,1H3,(H2,21,22,27)/t16-/m0/s1.

What are the key properties of 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?

4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 369.47 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 95717493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).