[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate

C23H24N2O7 — CID 108548636

IUPAC[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C23H24N2O7/c1-2-29-23(28)32-18-6-3-15(4-7-18)21(26)24-17-9-11-25(12-10-17)22(27)16-5-8-19-20(13-16)31-14-30-19/h3-8,13,17H,2,9-12,14H2,1H3,(H,24,26)
InChIKeyYXLOXPOHTUBCSN-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.99
Rot. Bonds5

About [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate

[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate (PubChem CID 108548636) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
PubChem CID108548636
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Name[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C23H24N2O7/c1-2-29-23(28)32-18-6-3-15(4-7-18)21(26)24-17-9-11-25(12-10-17)22(27)16-5-8-19-20(13-16)31-14-30-19/h3-8,13,17H,2,9-12,14H2,1H3,(H,24,26)
InChIKeyYXLOXPOHTUBCSN-UHFFFAOYSA-N
XLogP2.99
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108557245
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
ethyl [4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548646
ethyl [4-[4-[(3,4,5-trihydroxybenzoyl)amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108551456
ethyl [4-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548603
[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563374
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265
[4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930386
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
ethyl [4-[[1-(2-fluorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548597

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate (CID 108548636) is [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
The InChIKey is YXLOXPOHTUBCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-2-29-23(28)32-18-6-3-15(4-7-18)21(26)24-17-9-11-25(12-10-17)22(27)16-5-8-19-20(13-16)31-14-30-19/h3-8,13,17H,2,9-12,14H2,1H3,(H,24,26).
What are the key properties of [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate has a molecular weight of 440.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate is sourced from PubChem (CID 108548636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).