N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide

C28H28FN3O3 — CID 93199391

IUPACN-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESO=C(N[C@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C28H28FN3O3/c29-24-13-7-12-23(18-24)28(35)32-16-14-21(15-17-32)25(31-26(33)22-10-5-2-6-11-22)27(34)30-19-20-8-3-1-4-9-20/h1-13,18,21,25H,14-17,19H2,(H,30,34)(H,31,33)/t25-/m0/s1
InChIKeyLTLNTLGPKPVXRX-VWLOTQADSA-N
MW473.55 g/mol
LogP3.79
Rot. Bonds7

About N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide

N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (PubChem CID 93199391) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
PubChem CID93199391
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC NameN-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESO=C(N[C@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C28H28FN3O3/c29-24-13-7-12-23(18-24)28(35)32-16-14-21(15-17-32)25(31-26(33)22-10-5-2-6-11-22)27(34)30-19-20-8-3-1-4-9-20/h1-13,18,21,25H,14-17,19H2,(H,30,34)(H,31,33)/t25-/m0/s1
InChIKeyLTLNTLGPKPVXRX-VWLOTQADSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 46020368
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199454
2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46150949
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199679
N-[2-(cyclopropylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46019160
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-[2-(butan-2-ylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46019147
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196657
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196660
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019486

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (CID 93199391) is N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is O=C(N[C@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is LTLNTLGPKPVXRX-VWLOTQADSA-N. The full InChI is InChI=1S/C28H28FN3O3/c29-24-13-7-12-23(18-24)28(35)32-16-14-21(15-17-32)25(31-26(33)22-10-5-2-6-11-22)27(34)30-19-20-8-3-1-4-9-20/h1-13,18,21,25H,14-17,19H2,(H,30,34)(H,31,33)/t25-/m0/s1.
What are the key properties of N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 93199391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).