methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate

C26H34N4O4 — CID 166732534

IUPACmethyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate
SMILESCCC(=O)N(c1ccc(NC(=O)NCC(=O)OC)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H34N4O4/c1-3-24(31)30(22-11-9-21(10-12-22)28-26(33)27-19-25(32)34-2)23-14-17-29(18-15-23)16-13-20-7-5-4-6-8-20/h4-12,23H,3,13-19H2,1-2H3,(H2,27,28,33)
InChIKeyGRPSTYZEAFPDEZ-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.43
Rot. Bonds9

About methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate

methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate (PubChem CID 166732534) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate
PubChem CID166732534
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Namemethyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate
SMILESCCC(=O)N(c1ccc(NC(=O)NCC(=O)OC)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H34N4O4/c1-3-24(31)30(22-11-9-21(10-12-22)28-26(33)27-19-25(32)34-2)23-14-17-29(18-15-23)16-13-20-7-5-4-6-8-20/h4-12,23H,3,13-19H2,1-2H3,(H2,27,28,33)
InChIKeyGRPSTYZEAFPDEZ-UHFFFAOYSA-N
XLogP3.43
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
methyl 2-[[4-[[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate
CID 166732551
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
N-[1-[2-[4-(methanethioylamino)phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 154953055
2-oxo-2-phenylmethoxyacetic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 155024434
N-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 118796493
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 25110126

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate?
The IUPAC name of methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate (CID 166732534) is methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate?
The canonical SMILES for methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate is CCC(=O)N(c1ccc(NC(=O)NCC(=O)OC)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate?
The InChIKey is GRPSTYZEAFPDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-3-24(31)30(22-11-9-21(10-12-22)28-26(33)27-19-25(32)34-2)23-14-17-29(18-15-23)16-13-20-7-5-4-6-8-20/h4-12,23H,3,13-19H2,1-2H3,(H2,27,28,33).
What are the key properties of methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate?
methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate has a molecular weight of 466.58 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetate is sourced from PubChem (CID 166732534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).