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

C25H32N2O5 — CID 108935459

IUPACN-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C25H32N2O5/c1-30-21-7-5-4-6-19(21)9-11-24(28)26-17-18-12-14-27(15-13-18)25(29)20-8-10-22(31-2)23(16-20)32-3/h4-8,10,16,18H,9,11-15,17H2,1-3H3,(H,26,28)
InChIKeyORBBFPGPKQLVDM-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.31
Rot. Bonds9

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

N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 108935459) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
PubChem CID108935459
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C25H32N2O5/c1-30-21-7-5-4-6-19(21)9-11-24(28)26-17-18-12-14-27(15-13-18)25(29)20-8-10-22(31-2)23(16-20)32-3/h4-8,10,16,18H,9,11-15,17H2,1-3H3,(H,26,28)
InChIKeyORBBFPGPKQLVDM-UHFFFAOYSA-N
XLogP3.31
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide
CID 108935463
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108922222
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108935291
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229
(E)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3,4-dimethylpent-2-enamide
CID 108935551
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-sulfanylbenzamide
CID 108935334
2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 108935285
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935464
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 108934973

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide (CID 108935459) is N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is ORBBFPGPKQLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-30-21-7-5-4-6-19(21)9-11-24(28)26-17-18-12-14-27(15-13-18)25(29)20-8-10-22(31-2)23(16-20)32-3/h4-8,10,16,18H,9,11-15,17H2,1-3H3,(H,26,28).
What are the key properties of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide?
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 440.54 g/mol, XLogP of 3.31, 9 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]methyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 108935459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).