N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide

C23H29N3O3 — CID 97123602

IUPACN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(N3CCN(C)CC3)cc1)C2
InChIInChI=1S/C23H29N3O3/c1-25-9-11-26(12-10-25)20-6-3-18(4-7-20)23(27)24-15-17-13-19-5-8-21(28-2)14-22(19)29-16-17/h3-8,14,17H,9-13,15-16H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyIZVPMLZGVJTICV-QGZVFWFLSA-N
MW395.50 g/mol
LogP2.43
Rot. Bonds5

About N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 97123602) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID97123602
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(N3CCN(C)CC3)cc1)C2
InChIInChI=1S/C23H29N3O3/c1-25-9-11-26(12-10-25)20-6-3-18(4-7-20)23(27)24-15-17-13-19-5-8-21(28-2)14-22(19)29-16-17/h3-8,14,17H,9-13,15-16H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyIZVPMLZGVJTICV-QGZVFWFLSA-N
XLogP2.43
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide (CID 97123602) is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide is COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(N3CCN(C)CC3)cc1)C2.
What is the InChIKey of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is IZVPMLZGVJTICV-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25-9-11-26(12-10-25)20-6-3-18(4-7-20)23(27)24-15-17-13-19-5-8-21(28-2)14-22(19)29-16-17/h3-8,14,17H,9-13,15-16H2,1-2H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 97123602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).