N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide

C22H27N3O2 — CID 119490077

IUPACN-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESCNC1CCCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-23-19-13-8-14-25(16-19)21(26)15-20(17-9-4-2-5-10-17)24-22(27)18-11-6-3-7-12-18/h2-7,9-12,19-20,23H,8,13-16H2,1H3,(H,24,27)
InChIKeyPGFXKHMCTNEUCA-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.76
Rot. Bonds6

About N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide

N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 119490077) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID119490077
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESCNC1CCCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-23-19-13-8-14-25(16-19)21(26)15-20(17-9-4-2-5-10-17)24-22(27)18-11-6-3-7-12-18/h2-7,9-12,19-20,23H,8,13-16H2,1H3,(H,24,27)
InChIKeyPGFXKHMCTNEUCA-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119488269
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119404
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119489297
N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
CID 36940029
N-[1-(2-ethoxyphenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119489700

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide (CID 119490077) is N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide is CNC1CCCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is PGFXKHMCTNEUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-19-13-8-14-25(16-19)21(26)15-20(17-9-4-2-5-10-17)24-22(27)18-11-6-3-7-12-18/h2-7,9-12,19-20,23H,8,13-16H2,1H3,(H,24,27).
What are the key properties of N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 119490077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).