1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C20H30N2O4 — CID 55974466

IUPAC1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C20H30N2O4/c1-25-15-5-12-21-20(24)17-10-13-22(14-11-17)19(23)9-8-16-6-3-4-7-18(16)26-2/h3-4,6-7,17H,5,8-15H2,1-2H3,(H,21,24)
InChIKeyKRLZCEVPWFYLTD-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.02
Rot. Bonds9

About 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55974466) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID55974466
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C20H30N2O4/c1-25-15-5-12-21-20(24)17-10-13-22(14-11-17)19(23)9-8-16-6-3-4-7-18(16)26-2/h3-4,6-7,17H,5,8-15H2,1-2H3,(H,21,24)
InChIKeyKRLZCEVPWFYLTD-UHFFFAOYSA-N
XLogP2.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.02
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

N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 60551898
2-[3-[4-(butylcarbamoyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 120691836
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110335435
1-[3-(2-methoxyphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55526497
N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
CID 95322166
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 110396740
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55974466) is 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)CCc2ccccc2OC)CC1.
What is the InChIKey of 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is KRLZCEVPWFYLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-25-15-5-12-21-20(24)17-10-13-22(14-11-17)19(23)9-8-16-6-3-4-7-18(16)26-2/h3-4,6-7,17H,5,8-15H2,1-2H3,(H,21,24).
What are the key properties of 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55974466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).