N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide

C20H28N4O3 — CID 25482785

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC3CCN(C)CC3)c(OC)c2)cn1
InChIInChI=1S/C20H28N4O3/c1-4-24-14-15(13-22-24)12-21-20(25)16-5-6-18(19(11-16)26-3)27-17-7-9-23(2)10-8-17/h5-6,11,13-14,17H,4,7-10,12H2,1-3H3,(H,21,25)
InChIKeyLIYZXXMGXGRNNX-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.31
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide

N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide (PubChem CID 25482785) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
PubChem CID25482785
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC3CCN(C)CC3)c(OC)c2)cn1
InChIInChI=1S/C20H28N4O3/c1-4-24-14-15(13-22-24)12-21-20(25)16-5-6-18(19(11-16)26-3)27-17-7-9-23(2)10-8-17/h5-6,11,13-14,17H,4,7-10,12H2,1-3H3,(H,21,25)
InChIKeyLIYZXXMGXGRNNX-UHFFFAOYSA-N
XLogP2.31
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47041805
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 45201581
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 56703138
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide (CID 25482785) is N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide is CCn1cc(CNC(=O)c2ccc(OC3CCN(C)CC3)c(OC)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
The InChIKey is LIYZXXMGXGRNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-24-14-15(13-22-24)12-21-20(25)16-5-6-18(19(11-16)26-3)27-17-7-9-23(2)10-8-17/h5-6,11,13-14,17H,4,7-10,12H2,1-3H3,(H,21,25).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide has a molecular weight of 372.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 25482785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).