piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate

C16H22N2O4 — CID 20716331

IUPACpiperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
SMILESCOc1cc(C(C)=O)ccc1NC(=O)OCC1CCNCC1
InChIInChI=1S/C16H22N2O4/c1-11(19)13-3-4-14(15(9-13)21-2)18-16(20)22-10-12-5-7-17-8-6-12/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyWZZILZIWKKNQAP-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.45
Rot. Bonds5

About piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate

piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate (PubChem CID 20716331) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
PubChem CID20716331
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namepiperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
SMILESCOc1cc(C(C)=O)ccc1NC(=O)OCC1CCNCC1
InChIInChI=1S/C16H22N2O4/c1-11(19)13-3-4-14(15(9-13)21-2)18-16(20)22-10-12-5-7-17-8-6-12/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyWZZILZIWKKNQAP-UHFFFAOYSA-N
XLogP2.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
CID 20716333
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
N-(2-methoxyphenyl)-2-(piperidin-4-ylmethoxy)acetamide
CID 39062990
2-(4-acetyl-2-methoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168607608
2-(5-acetyl-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385762
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
CID 43607598
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate
CID 10473760
propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
CID 24885232
3-methoxy-4-(methoxycarbonylamino)benzoic acid
CID 58375560

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate?
The IUPAC name of piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate (CID 20716331) is piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate.
What is the SMILES notation for piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate?
The canonical SMILES for piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate is COc1cc(C(C)=O)ccc1NC(=O)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate?
The InChIKey is WZZILZIWKKNQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(19)13-3-4-14(15(9-13)21-2)18-16(20)22-10-12-5-7-17-8-6-12/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate?
piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate has a molecular weight of 306.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate is sourced from PubChem (CID 20716331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).