methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate

C17H22N2O4 — CID 51166527

IUPACmethyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H22N2O4/c1-23-17(22)14-7-9-19(10-8-14)16(21)12-18-15(20)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,20)
InChIKeyGYRXNKDPZDPGNN-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.76
Rot. Bonds5

About methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate

methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate (PubChem CID 51166527) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
PubChem CID51166527
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H22N2O4/c1-23-17(22)14-7-9-19(10-8-14)16(21)12-18-15(20)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,20)
InChIKeyGYRXNKDPZDPGNN-UHFFFAOYSA-N
XLogP0.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 46401834
methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 51166514
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
CID 43409066
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenylacetamide
CID 51160848
methyl 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxylate
CID 19061809
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate (CID 51166527) is methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate?
The InChIKey is GYRXNKDPZDPGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-23-17(22)14-7-9-19(10-8-14)16(21)12-18-15(20)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,20).
What are the key properties of methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 51166527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).