N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide

C25H31N3O3 — CID 46020539

IUPACN-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
SMILESCCCNC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H31N3O3/c1-3-15-26-24(30)22(27-23(29)20-11-9-18(2)10-12-20)19-13-16-28(17-14-19)25(31)21-7-5-4-6-8-21/h4-12,19,22H,3,13-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyLNDMLYBIWWQBKT-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.17
Rot. Bonds7

About N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide

N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide (PubChem CID 46020539) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
PubChem CID46020539
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
SMILESCCCNC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H31N3O3/c1-3-15-26-24(30)22(27-23(29)20-11-9-18(2)10-12-20)19-13-16-28(17-14-19)25(31)21-7-5-4-6-8-21/h4-12,19,22H,3,13-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyLNDMLYBIWWQBKT-UHFFFAOYSA-N
XLogP3.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 93199800
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020543
3-methoxy-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198291
N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93182891
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
3-methyl-N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46020113
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199805
N-[(1R)-2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199855
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide (CID 46020539) is N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide is CCCNC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide?
The InChIKey is LNDMLYBIWWQBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-3-15-26-24(30)22(27-23(29)20-11-9-18(2)10-12-20)19-13-16-28(17-14-19)25(31)21-7-5-4-6-8-21/h4-12,19,22H,3,13-17H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide?
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide has a molecular weight of 421.54 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 46020539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).