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

C23H30ClN3O3 — CID 120889270

IUPACN-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)C(NC(=O)c2ccccc2)c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-29-17-23(12-14-24-15-13-23)16-25-22(28)20(18-8-4-2-5-9-18)26-21(27)19-10-6-3-7-11-19;/h2-11,20,24H,12-17H2,1H3,(H,25,28)(H,26,27);1H
InChIKeyRWSQDUAZSAUBPX-UHFFFAOYSA-N
MW431.96 g/mol
LogP2.71
Rot. Bonds8

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

N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride (PubChem CID 120889270) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
PubChem CID120889270
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC NameN-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)C(NC(=O)c2ccccc2)c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-29-17-23(12-14-24-15-13-23)16-25-22(28)20(18-8-4-2-5-9-18)26-21(27)19-10-6-3-7-11-19;/h2-11,20,24H,12-17H2,1H3,(H,25,28)(H,26,27);1H
InChIKeyRWSQDUAZSAUBPX-UHFFFAOYSA-N
XLogP2.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120891910
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 120889673
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
CID 120892025
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120889665
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 120888678

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride (CID 120889270) is N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride is COCC1(CNC(=O)C(NC(=O)c2ccccc2)c2ccccc2)CCNCC1.Cl.
What is the InChIKey of N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
The InChIKey is RWSQDUAZSAUBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-29-17-23(12-14-24-15-13-23)16-25-22(28)20(18-8-4-2-5-9-18)26-21(27)19-10-6-3-7-11-19;/h2-11,20,24H,12-17H2,1H3,(H,25,28)(H,26,27);1H.
What are the key properties of N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride is sourced from PubChem (CID 120889270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).