4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide

C21H28N2O4 — CID 23723924

IUPAC4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C21H28N2O4/c1-5-11-23(12-6-2)21(25)17-7-8-19(20(15-17)26-4)27-18-9-13-22(14-10-18)16(3)24/h5-8,15,18H,1-2,9-14H2,3-4H3
InChIKeyNAWGFRDIVLXSDK-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.90
Rot. Bonds8

About 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide

4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide (PubChem CID 23723924) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide
PubChem CID23723924
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C21H28N2O4/c1-5-11-23(12-6-2)21(25)17-7-8-19(20(15-17)26-4)27-18-9-13-22(14-10-18)16(3)24/h5-8,15,18H,1-2,9-14H2,3-4H3
InChIKeyNAWGFRDIVLXSDK-UHFFFAOYSA-N
XLogP2.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 24792003
3-(1-acetylpiperidin-4-yl)oxy-N-(3-cyclopentylpropyl)-4-methoxy-N-methylbenzamide
CID 24818955
3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556
1-[4-[4-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-2-methoxyphenoxy]piperidin-1-yl]ethanone
CID 133127375
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 72936788
3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide
CID 24817343
4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
CID 72912652
methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate
CID 24790521
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 25366984

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide (CID 23723924) is 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is NAWGFRDIVLXSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-5-11-23(12-6-2)21(25)17-7-8-19(20(15-17)26-4)27-18-9-13-22(14-10-18)16(3)24/h5-8,15,18H,1-2,9-14H2,3-4H3.
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide?
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 23723924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).