(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide

C22H22N2O5 — CID 42147863

IUPAC(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C22H22N2O5/c1-14(25)15-4-7-18(8-5-15)23-22(27)24-10-2-3-17(12-24)21(26)16-6-9-19-20(11-16)29-13-28-19/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyHWHDKMKAYLOHTM-QGZVFWFLSA-N
MW394.43 g/mol
LogP3.74
Rot. Bonds4

About (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide

(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide (PubChem CID 42147863) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide
PubChem CID42147863
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C22H22N2O5/c1-14(25)15-4-7-18(8-5-15)23-22(27)24-10-2-3-17(12-24)21(26)16-6-9-19-20(11-16)29-13-28-19/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyHWHDKMKAYLOHTM-QGZVFWFLSA-N
XLogP3.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42214526
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
methyl 4-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-4-oxobutanoate
CID 42193338
(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide
CID 42567311
3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 45176869
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
(3S)-3-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 35067743
4-[1-(1,3-benzodioxole-5-carbonylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46020701
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide (CID 42147863) is (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1.
What is the InChIKey of (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide?
The InChIKey is HWHDKMKAYLOHTM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14(25)15-4-7-18(8-5-15)23-22(27)24-10-2-3-17(12-24)21(26)16-6-9-19-20(11-16)29-13-28-19/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,27)/t17-/m1/s1.
What are the key properties of (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide?
(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 42147863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).