N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide

C23H29N3O3 — CID 33108751

IUPACN-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1CNC(=O)[C@@H](C)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-17(22(27)24-16-19-10-6-7-11-21(19)29-2)26-14-12-20(13-15-26)25-23(28)18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyJXWFOASAHSRAGR-QGZVFWFLSA-N
MW395.50 g/mol
LogP2.59
Rot. Bonds7

About N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide

N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide (PubChem CID 33108751) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
PubChem CID33108751
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1CNC(=O)[C@@H](C)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-17(22(27)24-16-19-10-6-7-11-21(19)29-2)26-14-12-20(13-15-26)25-23(28)18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyJXWFOASAHSRAGR-QGZVFWFLSA-N
XLogP2.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9432729
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
(2R)-N-[(2-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461984
N-[(2-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 51242875
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9248409
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886626

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide (CID 33108751) is N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide is COc1ccccc1CNC(=O)[C@@H](C)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The InChIKey is JXWFOASAHSRAGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17(22(27)24-16-19-10-6-7-11-21(19)29-2)26-14-12-20(13-15-26)25-23(28)18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,24,27)(H,25,28)/t17-/m1/s1.
What are the key properties of N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33108751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).