methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate

C17H24N2O4 — CID 110822101

IUPACmethyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C17H24N2O4/c1-22-15-6-4-3-5-13(15)7-8-16(20)19-11-9-14(10-12-19)18-17(21)23-2/h3-6,14H,7-12H2,1-2H3,(H,18,21)
InChIKeyWVJXKYSZOXLRLH-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.97
Rot. Bonds5

About methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate

methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate (PubChem CID 110822101) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
PubChem CID110822101
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C17H24N2O4/c1-22-15-6-4-3-5-13(15)7-8-16(20)19-11-9-14(10-12-19)18-17(21)23-2/h3-6,14H,7-12H2,1-2H3,(H,18,21)
InChIKeyWVJXKYSZOXLRLH-UHFFFAOYSA-N
XLogP1.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919699
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 110396740
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119517304
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2-methoxyphenyl)propan-1-one
CID 119635537

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate (CID 110822101) is methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)CCc2ccccc2OC)CC1.
What is the InChIKey of methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate?
The InChIKey is WVJXKYSZOXLRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-15-6-4-3-5-13(15)7-8-16(20)19-11-9-14(10-12-19)18-17(21)23-2/h3-6,14H,7-12H2,1-2H3,(H,18,21).
What are the key properties of methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate?
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 110822101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).