methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate

C23H34N4O4 — CID 42923933

IUPACmethyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H34N4O4/c1-31-23(30)20(16-19-8-4-2-5-9-19)24-21(28)17-25-12-14-26(15-13-25)18-22(29)27-10-6-3-7-11-27/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3,(H,24,28)
InChIKeyAIWUCBNNLSSEOL-UHFFFAOYSA-N
MW430.55 g/mol
LogP0.52
Rot. Bonds8

About methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate

methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate (PubChem CID 42923933) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
PubChem CID42923933
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Namemethyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H34N4O4/c1-31-23(30)20(16-19-8-4-2-5-9-19)24-21(28)17-25-12-14-26(15-13-25)18-22(29)27-10-6-3-7-11-27/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3,(H,24,28)
InChIKeyAIWUCBNNLSSEOL-UHFFFAOYSA-N
XLogP0.52
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

methyl (2R)-2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-3-phenylpropanoate
CID 9276582
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
methyl (2S)-2-[[2-[4-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 134355675
methyl (2S)-3-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoate
CID 8620452
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 78836243
2-(4-benzylpiperazin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7809338
methyl (2S)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoate
CID 18092973
2-[4-[2-[[1-(2-aminoethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 102495502
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate
CID 7689318
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017205

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate (CID 42923933) is methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate?
The InChIKey is AIWUCBNNLSSEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-31-23(30)20(16-19-8-4-2-5-9-19)24-21(28)17-25-12-14-26(15-13-25)18-22(29)27-10-6-3-7-11-27/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3,(H,24,28).
What are the key properties of methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate?
methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate has a molecular weight of 430.55 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 42923933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).