ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate

C21H30N4O4 — CID 26319974

IUPACethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4O4/c1-2-29-21(28)24-11-8-17(9-12-24)23-19(26)14-18-20(27)22-10-13-25(18)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,22,27)(H,23,26)/t18-/m1/s1
InChIKeyYSVPVPJYFDOKFO-GOSISDBHSA-N
MW402.50 g/mol
LogP1.11
Rot. Bonds6

About ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 26319974) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID26319974
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Nameethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4O4/c1-2-29-21(28)24-11-8-17(9-12-24)23-19(26)14-18-20(27)22-10-13-25(18)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,22,27)(H,23,26)/t18-/m1/s1
InChIKeyYSVPVPJYFDOKFO-GOSISDBHSA-N
XLogP1.11
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45207560
ethyl 4-[[2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45220056
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 95149181
N-cyclopropyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56884569
N-cyclopentyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 45180827
N-cyclooctyl-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819460
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
N-cyclohexyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24793235
N-(4-hydroxycyclohexyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45203710
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 56885861
2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclobutylacetamide
CID 42594440

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate (CID 26319974) is ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is YSVPVPJYFDOKFO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-2-29-21(28)24-11-8-17(9-12-24)23-19(26)14-18-20(27)22-10-13-25(18)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,22,27)(H,23,26)/t18-/m1/s1.
What are the key properties of ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 26319974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).