4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride

C25H34ClN3O3 — CID 10139436

IUPAC4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC(C(=O)N2CCC(CNC(C)C)CC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C25H33N3O3.ClH/c1-18(2)26-17-19-13-15-28(16-14-19)25(30)23(20-7-5-4-6-8-20)27-24(29)21-9-11-22(31-3)12-10-21;/h4-12,18-19,23,26H,13-17H2,1-3H3,(H,27,29);1H
InChIKeyXZDKELAMWPSRCP-UHFFFAOYSA-N
MW460.02 g/mol
LogP3.82
Rot. Bonds8

About 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride

4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 10139436) has the molecular formula C25H34ClN3O3 and a molecular weight of 460.02 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
PubChem CID10139436
Molecular FormulaC25H34ClN3O3
Molecular Weight460.02 g/mol
Exact Mass459.23
IUPAC Name4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC(C(=O)N2CCC(CNC(C)C)CC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C25H33N3O3.ClH/c1-18(2)26-17-19-13-15-28(16-14-19)25(30)23(20-7-5-4-6-8-20)27-24(29)21-9-11-22(31-3)12-10-21;/h4-12,18-19,23,26H,13-17H2,1-3H3,(H,27,29);1H
InChIKeyXZDKELAMWPSRCP-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.02
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride with MolForge

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Related Compounds

4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 119562927
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
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzamide;hydrochloride
CID 120807240
(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-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119623179
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
(E)-3-(4-methoxyphenyl)-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]but-2-enamide
CID 110306126

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride (CID 10139436) is 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride is COc1ccc(C(=O)NC(C(=O)N2CCC(CNC(C)C)CC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride?
The InChIKey is XZDKELAMWPSRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3.ClH/c1-18(2)26-17-19-13-15-28(16-14-19)25(30)23(20-7-5-4-6-8-20)27-24(29)21-9-11-22(31-3)12-10-21;/h4-12,18-19,23,26H,13-17H2,1-3H3,(H,27,29);1H.
What are the key properties of 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride?
4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 460.02 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 10139436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).