4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide

C21H25N3O3 — CID 110287010

IUPAC4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(C)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O3/c1-23-12-14-24(15-13-23)21(26)19(16-6-4-3-5-7-16)22-20(25)17-8-10-18(27-2)11-9-17/h3-11,19H,12-15H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyVLNRMAQDPMTBES-IBGZPJMESA-N
MW367.45 g/mol
LogP1.94
Rot. Bonds5

About 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide

4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide (PubChem CID 110287010) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
PubChem CID110287010
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(C)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O3/c1-23-12-14-24(15-13-23)21(26)19(16-6-4-3-5-7-16)22-20(25)17-8-10-18(27-2)11-9-17/h3-11,19H,12-15H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyVLNRMAQDPMTBES-IBGZPJMESA-N
XLogP1.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287011
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 119562927
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 10139436
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzamide;hydrochloride
CID 120807240
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
(E)-3-(4-methoxyphenyl)-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]but-2-enamide
CID 110306126
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide (CID 110287010) is 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide is COc1ccc(C(=O)N[C@H](C(=O)N2CCN(C)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is VLNRMAQDPMTBES-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23-12-14-24(15-13-23)21(26)19(16-6-4-3-5-7-16)22-20(25)17-8-10-18(27-2)11-9-17/h3-11,19H,12-15H2,1-2H3,(H,22,25)/t19-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide?
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 110287010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).