N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide

C19H29N3O3 — CID 136587620

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-21-7-9-22(10-8-21)13-15-4-3-5-16(12-15)19(23)20-17-14-25-11-6-18(17)24-2/h3-5,12,17-18H,6-11,13-14H2,1-2H3,(H,20,23)/t17-,18-/m1/s1
InChIKeyUOEADWBCQLCTRH-QZTJIDSGSA-N
MW347.46 g/mol
LogP0.97
Rot. Bonds5

About N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide

N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 136587620) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID136587620
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-21-7-9-22(10-8-21)13-15-4-3-5-16(12-15)19(23)20-17-14-25-11-6-18(17)24-2/h3-5,12,17-18H,6-11,13-14H2,1-2H3,(H,20,23)/t17-,18-/m1/s1
InChIKeyUOEADWBCQLCTRH-QZTJIDSGSA-N
XLogP0.97
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 91768649
N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 91785949
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119477158
3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]benzamide
CID 91786755
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 120601515
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-(9-methylcarbazol-3-yl)acetamide
CID 91772197
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide
CID 164630095
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
CID 91774545
1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
CID 156609459

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 136587620) is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is UOEADWBCQLCTRH-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21-7-9-22(10-8-21)13-15-4-3-5-16(12-15)19(23)20-17-14-25-11-6-18(17)24-2/h3-5,12,17-18H,6-11,13-14H2,1-2H3,(H,20,23)/t17-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 136587620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).