N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide

C24H30N2O5 — CID 108935651

IUPACN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C24H30N2O5/c1-29-20-7-5-4-6-17(20)9-11-23(27)25-19-12-14-26(15-13-19)24(28)18-8-10-21(30-2)22(16-18)31-3/h4-8,10,16,19H,9,11-15H2,1-3H3,(H,25,27)
InChIKeyONFAOJQVLJCUSF-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.07
Rot. Bonds8

About N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide

N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 108935651) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID108935651
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C24H30N2O5/c1-29-20-7-5-4-6-17(20)9-11-23(27)25-19-12-14-26(15-13-19)24(28)18-8-10-21(30-2)22(16-18)31-3/h4-8,10,16,19H,9,11-15H2,1-3H3,(H,25,27)
InChIKeyONFAOJQVLJCUSF-UHFFFAOYSA-N
XLogP3.07
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108935459
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930449
3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide
CID 108935463
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 86841468
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119330531

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide (CID 108935651) is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is ONFAOJQVLJCUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-29-20-7-5-4-6-17(20)9-11-23(27)25-19-12-14-26(15-13-19)24(28)18-8-10-21(30-2)22(16-18)31-3/h4-8,10,16,19H,9,11-15H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide?
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 426.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 108935651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).