N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C25H32N2O4 — CID 55856671

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C25H32N2O4/c1-19-8-9-23(30-2)21(18-19)10-14-26-25(29)20-11-15-27(16-12-20)24(28)13-17-31-22-6-4-3-5-7-22/h3-9,18,20H,10-17H2,1-2H3,(H,26,29)
InChIKeySGCMYHWEEZMFAH-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.37
Rot. Bonds9

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55856671) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55856671
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C25H32N2O4/c1-19-8-9-23(30-2)21(18-19)10-14-26-25(29)20-11-15-27(16-12-20)24(28)13-17-31-22-6-4-3-5-7-22/h3-9,18,20H,10-17H2,1-2H3,(H,26,29)
InChIKeySGCMYHWEEZMFAH-UHFFFAOYSA-N
XLogP3.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 55860208
1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974466
1-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779180
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55853822

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55856671) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is COc1ccc(C)cc1CCNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is SGCMYHWEEZMFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-19-8-9-23(30-2)21(18-19)10-14-26-25(29)20-11-15-27(16-12-20)24(28)13-17-31-22-6-4-3-5-7-22/h3-9,18,20H,10-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55856671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).