N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide

C24H32N2O5 — CID 24574365

IUPACN-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(COCC(O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H32N2O5/c1-29-22-9-8-18(14-23(22)30-2)16-31-17-21(27)15-26-12-10-20(11-13-26)25-24(28)19-6-4-3-5-7-19/h3-9,14,20-21,27H,10-13,15-17H2,1-2H3,(H,25,28)
InChIKeyVLBXCPGWVMNDIQ-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.48
Rot. Bonds10

About N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide

N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide (PubChem CID 24574365) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide
PubChem CID24574365
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC NameN-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(COCC(O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H32N2O5/c1-29-22-9-8-18(14-23(22)30-2)16-31-17-21(27)15-26-12-10-20(11-13-26)25-24(28)19-6-4-3-5-7-19/h3-9,14,20-21,27H,10-13,15-17H2,1-2H3,(H,25,28)
InChIKeyVLBXCPGWVMNDIQ-UHFFFAOYSA-N
XLogP2.48
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537339
1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate
CID 1039020
N-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]benzamide
CID 42928020
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7329897
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 111437418
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555406
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide (CID 24574365) is N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide is COc1ccc(COCC(O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1OC.
What is the InChIKey of N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide?
The InChIKey is VLBXCPGWVMNDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-29-22-9-8-18(14-23(22)30-2)16-31-17-21(27)15-26-12-10-20(11-13-26)25-24(28)19-6-4-3-5-7-19/h3-9,14,20-21,27H,10-13,15-17H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide?
N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 24574365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).