N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide

C22H27ClN2O3 — CID 25482697

IUPACN-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccccc2Cl)ccc1OC1CCN(C)CC1
InChIInChI=1S/C22H27ClN2O3/c1-25-13-10-18(11-14-25)28-20-8-7-17(15-21(20)27-2)22(26)24-12-9-16-5-3-4-6-19(16)23/h3-8,15,18H,9-14H2,1-2H3,(H,24,26)
InChIKeySMAVIZXNLZASSU-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.79
Rot. Bonds7

About N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide

N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide (PubChem CID 25482697) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
PubChem CID25482697
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccccc2Cl)ccc1OC1CCN(C)CC1
InChIInChI=1S/C22H27ClN2O3/c1-25-13-10-18(11-14-25)28-20-8-7-17(15-21(20)27-2)22(26)24-12-9-16-5-3-4-6-19(16)23/h3-8,15,18H,9-14H2,1-2H3,(H,24,26)
InChIKeySMAVIZXNLZASSU-UHFFFAOYSA-N
XLogP3.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
CID 72928105
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 45201581
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 72936788
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide
CID 42289014
4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide
CID 45488988
N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482785
4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
CID 72912652
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
CID 56713606
4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 55952071
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide (CID 25482697) is N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide is COc1cc(C(=O)NCCc2ccccc2Cl)ccc1OC1CCN(C)CC1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
The InChIKey is SMAVIZXNLZASSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-25-13-10-18(11-14-25)28-20-8-7-17(15-21(20)27-2)22(26)24-12-9-16-5-3-4-6-19(16)23/h3-8,15,18H,9-14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide has a molecular weight of 402.92 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 25482697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).