N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

C18H24N2O4 — CID 113002527

IUPACN-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C18H24N2O4/c1-23-15-9-13(10-16(11-15)24-2)18(22)20-7-5-12(6-8-20)17(21)19-14-3-4-14/h9-12,14H,3-8H2,1-2H3,(H,19,21)
InChIKeyJEOZQIDIVINWIO-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.83
Rot. Bonds5

About N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 113002527) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID113002527
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C18H24N2O4/c1-23-15-9-13(10-16(11-15)24-2)18(22)20-7-5-12(6-8-20)17(21)19-14-3-4-14/h9-12,14H,3-8H2,1-2H3,(H,19,21)
InChIKeyJEOZQIDIVINWIO-UHFFFAOYSA-N
XLogP1.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119427113
N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 78884210
1-(3,5-dimethoxybenzoyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperidine-4-carboxamide
CID 166227562
2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108564100
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 120505350
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693267
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (CID 113002527) is N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is JEOZQIDIVINWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-15-9-13(10-16(11-15)24-2)18(22)20-7-5-12(6-8-20)17(21)19-14-3-4-14/h9-12,14H,3-8H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113002527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).