3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide

C23H30N2O3 — CID 60533969

IUPAC3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(c2ccccc2OC)N2CCCCC2)ccc1C
InChIInChI=1S/C23H30N2O3/c1-17-11-12-18(15-22(17)28-3)23(26)24-16-20(25-13-7-4-8-14-25)19-9-5-6-10-21(19)27-2/h5-6,9-12,15,20H,4,7-8,13-14,16H2,1-3H3,(H,24,26)
InChIKeySXCBQQXRWLLOBN-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.97
Rot. Bonds7

About 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide

3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide (PubChem CID 60533969) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
PubChem CID60533969
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(c2ccccc2OC)N2CCCCC2)ccc1C
InChIInChI=1S/C23H30N2O3/c1-17-11-12-18(15-22(17)28-3)23(26)24-16-20(25-13-7-4-8-14-25)19-9-5-6-10-21(19)27-2/h5-6,9-12,15,20H,4,7-8,13-14,16H2,1-3H3,(H,24,26)
InChIKeySXCBQQXRWLLOBN-UHFFFAOYSA-N
XLogP3.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 55950107
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 55950743
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43006287
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95570380

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
The IUPAC name of 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide (CID 60533969) is 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide is COc1cc(C(=O)NCC(c2ccccc2OC)N2CCCCC2)ccc1C.
What is the InChIKey of 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
The InChIKey is SXCBQQXRWLLOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-11-12-18(15-22(17)28-3)23(26)24-16-20(25-13-7-4-8-14-25)19-9-5-6-10-21(19)27-2/h5-6,9-12,15,20H,4,7-8,13-14,16H2,1-3H3,(H,24,26).
What are the key properties of 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide has a molecular weight of 382.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 60533969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).