methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate

C19H27N3O6 — CID 73135225

IUPACmethyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCOCC(=O)N1CCNCC1C(=O)NC(Cc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C19H27N3O6/c1-26-12-17(23)22-9-8-20-11-16(22)18(24)21-15(19(25)28-3)10-13-4-6-14(27-2)7-5-13/h4-7,15-16,20H,8-12H2,1-3H3,(H,21,24)
InChIKeyBKIKLAMJZDRNIK-UHFFFAOYSA-N
MW393.44 g/mol
LogP-0.66
Rot. Bonds8

About methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate

methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 73135225) has the molecular formula C19H27N3O6 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
PubChem CID73135225
Molecular FormulaC19H27N3O6
Molecular Weight393.44 g/mol
Exact Mass393.19
IUPAC Namemethyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCOCC(=O)N1CCNCC1C(=O)NC(Cc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C19H27N3O6/c1-26-12-17(23)22-9-8-20-11-16(22)18(24)21-15(19(25)28-3)10-13-4-6-14(27-2)7-5-13/h4-7,15-16,20H,8-12H2,1-3H3,(H,21,24)
InChIKeyBKIKLAMJZDRNIK-UHFFFAOYSA-N
XLogP-0.66
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S)-2-[[(2R)-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 163132661
methyl (2S)-2-[[(2S)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 11887572
methyl 2-[[1-(benzenesulfonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 78455363
methyl (2S)-2-[[(2R)-1-(2-methoxyacetyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 11887584
methyl (2S)-2-[[(2S)-1-acetylpiperazin-4-ium-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 11887563
methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 7164885
methyl 2-[[1-acetyl-4-(propan-2-ylcarbamoyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 78455337
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
CID 25391117
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
CID 11887607
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
methyl (2S)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 7164820
methyl (2S)-2-[[(2R)-1,4-bis(benzenesulfonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 7164893

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate (CID 73135225) is methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate is COCC(=O)N1CCNCC1C(=O)NC(Cc1ccc(OC)cc1)C(=O)OC.
What is the InChIKey of methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is BKIKLAMJZDRNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6/c1-26-12-17(23)22-9-8-20-11-16(22)18(24)21-15(19(25)28-3)10-13-4-6-14(27-2)7-5-13/h4-7,15-16,20H,8-12H2,1-3H3,(H,21,24).
What are the key properties of methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate?
methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 393.44 g/mol, XLogP of -0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 73135225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).