N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C22H27N3O2 — CID 71902056

IUPACN-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-25-14-12-19(13-15-25)23-22(27)20(16-17-8-4-2-5-9-17)24-21(26)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyRLHKCWUDIPZUDJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.24
Rot. Bonds6

About N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 71902056) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID71902056
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-25-14-12-19(13-15-25)23-22(27)20(16-17-8-4-2-5-9-17)24-21(26)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyRLHKCWUDIPZUDJ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 78810004
4-fluoro-N-[(2S)-1-[[(3R)-1-methylpyrrolidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 165121978
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46540029
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119424821
N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 126009171
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 51728586
N-[(2S)-1-[[(3S)-1-cyanopyrrolidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 165122061
N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
CID 4783472
N-[1-[[(2R)-1-[(1-carbamimidoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]benzamide
CID 68540879

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 71902056) is N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is CN1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is RLHKCWUDIPZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25-14-12-19(13-15-25)23-22(27)20(16-17-8-4-2-5-9-17)24-21(26)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 71902056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).