2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide

C20H23N3O3 — CID 124693496

IUPAC2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
SMILESC[C@H]1CN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)CCN1
InChIInChI=1S/C20H23N3O3/c1-14-12-23(10-9-22-14)20(25)16-6-4-5-15(11-16)13-26-18-8-3-2-7-17(18)19(21)24/h2-8,11,14,22H,9-10,12-13H2,1H3,(H2,21,24)/t14-/m0/s1
InChIKeyDQWSHXDNTWWJQU-AWEZNQCLSA-N
MW353.42 g/mol
LogP1.80
Rot. Bonds5

About 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide

2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide (PubChem CID 124693496) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
PubChem CID124693496
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
SMILESC[C@H]1CN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)CCN1
InChIInChI=1S/C20H23N3O3/c1-14-12-23(10-9-22-14)20(25)16-6-4-5-15(11-16)13-26-18-8-3-2-7-17(18)19(21)24/h2-8,11,14,22H,9-10,12-13H2,1H3,(H2,21,24)/t14-/m0/s1
InChIKeyDQWSHXDNTWWJQU-AWEZNQCLSA-N
XLogP1.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide?
The IUPAC name of 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide (CID 124693496) is 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide is C[C@H]1CN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)CCN1.
What is the InChIKey of 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide?
The InChIKey is DQWSHXDNTWWJQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-12-23(10-9-22-14)20(25)16-6-4-5-15(11-16)13-26-18-8-3-2-7-17(18)19(21)24/h2-8,11,14,22H,9-10,12-13H2,1H3,(H2,21,24)/t14-/m0/s1.
What are the key properties of 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide?
2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide has a molecular weight of 353.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide is sourced from PubChem (CID 124693496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).