methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate

C27H35N3O4 — CID 168939839

IUPACmethyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN(C(=O)C1CCC1)C1CCN(C(C)c2cccc3ccccc23)CC1
InChIInChI=1S/C27H35N3O4/c1-19(23-12-6-8-20-7-3-4-11-24(20)23)29-15-13-22(14-16-29)30(27(33)21-9-5-10-21)18-25(31)28-17-26(32)34-2/h3-4,6-8,11-12,19,21-22H,5,9-10,13-18H2,1-2H3,(H,28,31)
InChIKeyGRYPMGSGXPTHDI-UHFFFAOYSA-N
MW465.59 g/mol
LogP3.28
Rot. Bonds8

About methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate

methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate (PubChem CID 168939839) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate
PubChem CID168939839
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Namemethyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN(C(=O)C1CCC1)C1CCN(C(C)c2cccc3ccccc23)CC1
InChIInChI=1S/C27H35N3O4/c1-19(23-12-6-8-20-7-3-4-11-24(20)23)29-15-13-22(14-16-29)30(27(33)21-9-5-10-21)18-25(31)28-17-26(32)34-2/h3-4,6-8,11-12,19,21-22H,5,9-10,13-18H2,1-2H3,(H,28,31)
InChIKeyGRYPMGSGXPTHDI-UHFFFAOYSA-N
XLogP3.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate with MolForge

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Related Compounds

methyl (E)-4-[[2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetyl]amino]but-2-enoate
CID 168940141
N-but-3-yn-2-yl-2-[[2-[methylsulfanyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetamide
CID 168939846
methyl (E)-4-[[2-[[2-[3-methylbutanoyl-[1-[(1R)-1-naphthalen-1-ylethyl]piperidin-4-yl]amino]acetyl]amino]acetyl]amino]but-2-enoate
CID 168940035
N-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 176652835
2-[[2-[cyclopropylsulfanyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]-N-prop-2-ynylacetamide
CID 168940000
2-[[2-[[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]-phenylsulfanylamino]acetyl]amino]-N-prop-2-ynylacetamide
CID 168940159
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
methyl (E)-2-cyano-4-[[2-[[2-[methylsulfanyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetyl]amino]but-2-enoate
CID 168939965
methyl (E)-4-[[2-[[2-[[1-[(1R)-1-naphthalen-1-ylethyl]piperidin-4-yl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]acetyl]amino]acetyl]amino]but-2-enoate
CID 168940031
2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(3,3,3-trifluoro-2-prop-2-ynoxypropyl)acetamide
CID 168940180
N-benzyl-3-[[2-[[2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetyl]amino]-2-oxopropanamide
CID 168940016
methyl 2-[4-[methylsulfanyl-[2-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]ethyl]amino]piperidin-1-yl]-2-naphthalen-1-ylacetate
CID 168940144

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate (CID 168939839) is methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate is COC(=O)CNC(=O)CN(C(=O)C1CCC1)C1CCN(C(C)c2cccc3ccccc23)CC1.
What is the InChIKey of methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate?
The InChIKey is GRYPMGSGXPTHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-19(23-12-6-8-20-7-3-4-11-24(20)23)29-15-13-22(14-16-29)30(27(33)21-9-5-10-21)18-25(31)28-17-26(32)34-2/h3-4,6-8,11-12,19,21-22H,5,9-10,13-18H2,1-2H3,(H,28,31).
What are the key properties of methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate?
methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate has a molecular weight of 465.59 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate is sourced from PubChem (CID 168939839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).