N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide

C22H32N2O5 — CID 45180353

IUPACN-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C22H32N2O5/c1-3-23(15-20-5-4-14-28-20)22(26)17-6-8-18(9-7-17)29-19-10-12-24(13-11-19)21(25)16-27-2/h6-9,19-20H,3-5,10-16H2,1-2H3
InChIKeyCAJJJRWXSQBHKY-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.34
Rot. Bonds8

About N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide

N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 45180353) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID45180353
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC NameN-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C22H32N2O5/c1-3-23(15-20-5-4-14-28-20)22(26)17-6-8-18(9-7-17)29-19-10-12-24(13-11-19)21(25)16-27-2/h6-9,19-20H,3-5,10-16H2,1-2H3
InChIKeyCAJJJRWXSQBHKY-UHFFFAOYSA-N
XLogP2.34
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45186750
4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93337752
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide
CID 45188135
N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126443399
N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide
CID 25281267
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide
CID 42190525
1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one
CID 70756480
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide (CID 45180353) is N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1.
What is the InChIKey of N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CAJJJRWXSQBHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-3-23(15-20-5-4-14-28-20)22(26)17-6-8-18(9-7-17)29-19-10-12-24(13-11-19)21(25)16-27-2/h6-9,19-20H,3-5,10-16H2,1-2H3.
What are the key properties of N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide?
N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 404.51 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 45180353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).