methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate

C24H34N4O6 — CID 7164885

About methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate

methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 7164885) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

• Compound Name: methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
• PubChem CID: 7164885
• Molecular Formula: C24H34N4O6
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.25
• IUPAC Name: methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
• SMILES: COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)C1CCNCC1
• InChI: InChI=1S/C24H34N4O6/c1-16(29)27-12-13-28(23(31)18-8-10-25-11-9-18)21(15-27)22(30)26-20(24(32)34-3)14-17-4-6-19(33-2)7-5-17/h4-7,18,20-21,25H,8-15H2,1-3H3,(H,26,30)/t20-,21+/m0/s1
• InChIKey: BPWIVCGUWIKQAF-LEWJYISDSA-N
• XLogP: -0.05
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate?

The IUPAC name of methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate (CID 7164885) is methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate.

What is the SMILES notation for methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate?

The canonical SMILES for methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate is COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)C1CCNCC1.

What is the InChIKey of methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate?

The InChIKey is BPWIVCGUWIKQAF-LEWJYISDSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-16(29)27-12-13-28(23(31)18-8-10-25-11-9-18)21(15-27)22(30)26-20(24(32)34-3)14-17-4-6-19(33-2)7-5-17/h4-7,18,20-21,25H,8-15H2,1-3H3,(H,26,30)/t20-,21+/m0/s1.

What are the key properties of methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate?

methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 474.56 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 7164885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).