N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide

C24H30N2O4 — CID 45201581

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
SMILESCOc1cc(C(=O)NCC2OCCc3ccccc32)ccc1OC1CCN(C)CC1
InChIInChI=1S/C24H30N2O4/c1-26-12-9-19(10-13-26)30-21-8-7-18(15-22(21)28-2)24(27)25-16-23-20-6-4-3-5-17(20)11-14-29-23/h3-8,15,19,23H,9-14,16H2,1-2H3,(H,25,27)
InChIKeySPAWTNHORWOACO-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.21
Rot. Bonds6

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide (PubChem CID 45201581) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
PubChem CID45201581
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
SMILESCOc1cc(C(=O)NCC2OCCc3ccccc32)ccc1OC1CCN(C)CC1
InChIInChI=1S/C24H30N2O4/c1-26-12-9-19(10-13-26)30-21-8-7-18(15-22(21)28-2)24(27)25-16-23-20-6-4-3-5-17(20)11-14-29-23/h3-8,15,19,23H,9-14,16H2,1-2H3,(H,25,27)
InChIKeySPAWTNHORWOACO-UHFFFAOYSA-N
XLogP3.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
3-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoylamino)-4-methoxy-N-methylbenzamide
CID 118773890
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
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2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
CID 72928105
3-(azepan-1-ylmethyl)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]benzamide
CID 99974339
N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482785
4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide
CID 25461025
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 95131730
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-methoxy-4-methylbenzamide
CID 131682787
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide (CID 45201581) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide is COc1cc(C(=O)NCC2OCCc3ccccc32)ccc1OC1CCN(C)CC1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
The InChIKey is SPAWTNHORWOACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-26-12-9-19(10-13-26)30-21-8-7-18(15-22(21)28-2)24(27)25-16-23-20-6-4-3-5-17(20)11-14-29-23/h3-8,15,19,23H,9-14,16H2,1-2H3,(H,25,27).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide has a molecular weight of 410.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 45201581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).