4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride

C22H28ClN3O3 — CID 119562927

IUPAC4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride
SMILESCNC1CCN(C(=O)C(NC(=O)c2ccc(OC)cc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-23-18-12-14-25(15-13-18)22(27)20(16-6-4-3-5-7-16)24-21(26)17-8-10-19(28-2)11-9-17;/h3-11,18,20,23H,12-15H2,1-2H3,(H,24,26);1H
InChIKeyPCUPGZFMPKZQFF-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.80
Rot. Bonds6

About 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride

4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride (PubChem CID 119562927) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride
PubChem CID119562927
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride
SMILESCNC1CCN(C(=O)C(NC(=O)c2ccc(OC)cc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-23-18-12-14-25(15-13-18)22(27)20(16-6-4-3-5-7-16)24-21(26)17-8-10-19(28-2)11-9-17;/h3-11,18,20,23H,12-15H2,1-2H3,(H,24,26);1H
InChIKeyPCUPGZFMPKZQFF-UHFFFAOYSA-N
XLogP2.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 10139436
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 172717064
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzamide;hydrochloride
CID 120807240
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
3,5-dimethoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287011
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119623179
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride (CID 119562927) is 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride is CNC1CCN(C(=O)C(NC(=O)c2ccc(OC)cc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
The InChIKey is PCUPGZFMPKZQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-23-18-12-14-25(15-13-18)22(27)20(16-6-4-3-5-7-16)24-21(26)17-8-10-19(28-2)11-9-17;/h3-11,18,20,23H,12-15H2,1-2H3,(H,24,26);1H.
What are the key properties of 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride is sourced from PubChem (CID 119562927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).