3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide

C20H26N2O4 — CID 42557084

IUPAC3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCC1=C(C(=O)N2CCC(CCC(=O)Nc3ccccc3)CC2)OCCO1
InChIInChI=1S/C20H26N2O4/c1-15-19(26-14-13-25-15)20(24)22-11-9-16(10-12-22)7-8-18(23)21-17-5-3-2-4-6-17/h2-6,16H,7-14H2,1H3,(H,21,23)
InChIKeyUCNUVANROYPOGD-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.92
Rot. Bonds5

About 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide

3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 42557084) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID42557084
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCC1=C(C(=O)N2CCC(CCC(=O)Nc3ccccc3)CC2)OCCO1
InChIInChI=1S/C20H26N2O4/c1-15-19(26-14-13-25-15)20(24)22-11-9-16(10-12-22)7-8-18(23)21-17-5-3-2-4-6-17/h2-6,16H,7-14H2,1H3,(H,21,23)
InChIKeyUCNUVANROYPOGD-UHFFFAOYSA-N
XLogP2.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26396661
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42195060
3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26325271
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42210371
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 25447624
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42213549
3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42460314
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide (CID 42557084) is 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide is CC1=C(C(=O)N2CCC(CCC(=O)Nc3ccccc3)CC2)OCCO1.
What is the InChIKey of 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is UCNUVANROYPOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-15-19(26-14-13-25-15)20(24)22-11-9-16(10-12-22)7-8-18(23)21-17-5-3-2-4-6-17/h2-6,16H,7-14H2,1H3,(H,21,23).
What are the key properties of 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 358.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 42557084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).