methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate

C21H26N4O3 — CID 51116585

IUPACmethyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)NC1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-28-20(26)15-18(16-7-3-2-4-8-16)24-21(27)23-17-10-13-25(14-11-17)19-9-5-6-12-22-19/h2-9,12,17-18H,10-11,13-15H2,1H3,(H2,23,24,27)
InChIKeyOUKVIXUYRARLRC-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.65
Rot. Bonds6

About methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate

methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate (PubChem CID 51116585) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate
PubChem CID51116585
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Namemethyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)NC1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-28-20(26)15-18(16-7-3-2-4-8-16)24-21(27)23-17-10-13-25(14-11-17)19-9-5-6-12-22-19/h2-9,12,17-18H,10-11,13-15H2,1H3,(H2,23,24,27)
InChIKeyOUKVIXUYRARLRC-UHFFFAOYSA-N
XLogP2.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate?
The IUPAC name of methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate (CID 51116585) is methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate?
The canonical SMILES for methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate is COC(=O)CC(NC(=O)NC1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate?
The InChIKey is OUKVIXUYRARLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-20(26)15-18(16-7-3-2-4-8-16)24-21(27)23-17-10-13-25(14-11-17)19-9-5-6-12-22-19/h2-9,12,17-18H,10-11,13-15H2,1H3,(H2,23,24,27).
What are the key properties of methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate?
methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate has a molecular weight of 382.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-3-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propanoate is sourced from PubChem (CID 51116585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).