N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide

C24H28BrN3O3 — CID 93182891

IUPACN-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C24H28BrN3O3/c1-2-13-26-23(30)21(27-22(29)18-7-4-3-5-8-18)17-11-14-28(15-12-17)24(31)19-9-6-10-20(25)16-19/h3-10,16-17,21H,2,11-15H2,1H3,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyNKTIQAOZXGACME-NRFANRHFSA-N
MW486.41 g/mol
LogP3.63
Rot. Bonds7

About N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide

N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 93182891) has the molecular formula C24H28BrN3O3 and a molecular weight of 486.41 g/mol. Its IUPAC name is N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID93182891
Molecular FormulaC24H28BrN3O3
Molecular Weight486.41 g/mol
Exact Mass485.13
IUPAC NameN-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C24H28BrN3O3/c1-2-13-26-23(30)21(27-22(29)18-7-4-3-5-8-18)17-11-14-28(15-12-17)24(31)19-9-6-10-20(25)16-19/h3-10,16-17,21H,2,11-15H2,1H3,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyNKTIQAOZXGACME-NRFANRHFSA-N
XLogP3.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198983
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methoxybenzamide
CID 46019563
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198988
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
3-methyl-N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46020113
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199391
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198980

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide (CID 93182891) is N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is NKTIQAOZXGACME-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28BrN3O3/c1-2-13-26-23(30)21(27-22(29)18-7-4-3-5-8-18)17-11-14-28(15-12-17)24(31)19-9-6-10-20(25)16-19/h3-10,16-17,21H,2,11-15H2,1H3,(H,26,30)(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide?
N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 486.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 93182891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).