4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide

C21H26N2O4 — CID 90629205

IUPAC4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)NCCCc3ccccc3)CC2)cc(=O)o1
InChIInChI=1S/C21H26N2O4/c1-16-14-19(15-20(24)26-16)27-18-9-12-23(13-10-18)21(25)22-11-5-8-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,22,25)
InChIKeyZAUUPFNVHVXERJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.13
Rot. Bonds6

About 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide

4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide (PubChem CID 90629205) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
PubChem CID90629205
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)NCCCc3ccccc3)CC2)cc(=O)o1
InChIInChI=1S/C21H26N2O4/c1-16-14-19(15-20(24)26-16)27-18-9-12-23(13-10-18)21(25)22-11-5-8-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,22,25)
InChIKeyZAUUPFNVHVXERJ-UHFFFAOYSA-N
XLogP3.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one
CID 90629096
benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
CID 90629153
6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one
CID 90629092
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
4-[1-(4-butoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628996
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 90638891
6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
CID 129410643
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-[1-[3-(4-bromophenyl)propanoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628629
(3R)-N-(2-methoxyphenyl)-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 99877909
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide (CID 90629205) is 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide is Cc1cc(OC2CCN(C(=O)NCCCc3ccccc3)CC2)cc(=O)o1.
What is the InChIKey of 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide?
The InChIKey is ZAUUPFNVHVXERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16-14-19(15-20(24)26-16)27-18-9-12-23(13-10-18)21(25)22-11-5-8-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,22,25).
What are the key properties of 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide?
4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 90629205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).