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

C25H30FN3O3 — CID 93198983

IUPACN-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
SMILESCCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FN3O3/c1-3-12-27-24(31)22(28-23(30)19-7-4-6-17(2)15-19)18-10-13-29(14-11-18)25(32)20-8-5-9-21(26)16-20/h4-9,15-16,18,22H,3,10-14H2,1-2H3,(H,27,31)(H,28,30)/t22-/m0/s1
InChIKeyFSLAKTWSQOAOEC-QFIPXVFZSA-N
MW439.53 g/mol
LogP3.31
Rot. Bonds7

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

N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide (PubChem CID 93198983) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
PubChem CID93198983
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC NameN-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
SMILESCCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FN3O3/c1-3-12-27-24(31)22(28-23(30)19-7-4-6-17(2)15-19)18-10-13-29(14-11-18)25(32)20-8-5-9-21(26)16-20/h4-9,15-16,18,22H,3,10-14H2,1-2H3,(H,27,31)(H,28,30)/t22-/m0/s1
InChIKeyFSLAKTWSQOAOEC-QFIPXVFZSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198980
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198988
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198867
3-methyl-N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46020113
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methoxybenzamide
CID 46019563
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199679
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198154
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 93198889
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196675
N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199391
N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93182891
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide?
The IUPAC name of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide (CID 93198983) is N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide is CCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide?
The InChIKey is FSLAKTWSQOAOEC-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-3-12-27-24(31)22(28-23(30)19-7-4-6-17(2)15-19)18-10-13-29(14-11-18)25(32)20-8-5-9-21(26)16-20/h4-9,15-16,18,22H,3,10-14H2,1-2H3,(H,27,31)(H,28,30)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide?
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide has a molecular weight of 439.53 g/mol, XLogP of 3.31, 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-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide is sourced from PubChem (CID 93198983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).