phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate

C22H26N2O5 — CID 108567349

IUPACphenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H26N2O5/c1-27-19-9-8-16(14-20(19)28-2)15-21(25)24-12-10-17(11-13-24)23-22(26)29-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyXZVUSPQDMAKRDN-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.03
Rot. Bonds6

About phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate

phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate (PubChem CID 108567349) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
PubChem CID108567349
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Namephenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H26N2O5/c1-27-19-9-8-16(14-20(19)28-2)15-21(25)24-12-10-17(11-13-24)23-22(26)29-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyXZVUSPQDMAKRDN-UHFFFAOYSA-N
XLogP3.03
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548772
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555406
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551562
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043589
methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
CID 110819826
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108567341
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558608
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420365
phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate (CID 108567349) is phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate is COc1ccc(CC(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)cc1OC.
What is the InChIKey of phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate?
The InChIKey is XZVUSPQDMAKRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-27-19-9-8-16(14-20(19)28-2)15-21(25)24-12-10-17(11-13-24)23-22(26)29-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate?
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate has a molecular weight of 398.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108567349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).