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

C28H28FN3O3 — CID 93199377

IUPACN-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESO=C(N[C@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C28H28FN3O3/c29-24-13-11-23(12-14-24)28(35)32-17-15-21(16-18-32)25(31-26(33)22-9-5-2-6-10-22)27(34)30-19-20-7-3-1-4-8-20/h1-14,21,25H,15-19H2,(H,30,34)(H,31,33)/t25-/m0/s1
InChIKeyNLWOZUSJYHSQRL-VWLOTQADSA-N
MW473.55 g/mol
LogP3.79
Rot. Bonds7

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

N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (PubChem CID 93199377) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
PubChem CID93199377
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC NameN-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESO=C(N[C@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C28H28FN3O3/c29-24-13-11-23(12-14-24)28(35)32-17-15-21(16-18-32)25(31-26(33)22-9-5-2-6-10-22)27(34)30-19-20-7-3-1-4-8-20/h1-14,21,25H,15-19H2,(H,30,34)(H,31,33)/t25-/m0/s1
InChIKeyNLWOZUSJYHSQRL-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-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199391
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199501
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200047
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355
4-fluoro-N-[(1R)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(propylamino)ethyl]benzamide
CID 93178750
4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200042
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-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 46020304

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (CID 93199377) is N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is O=C(N[C@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is NLWOZUSJYHSQRL-VWLOTQADSA-N. The full InChI is InChI=1S/C28H28FN3O3/c29-24-13-11-23(12-14-24)28(35)32-17-15-21(16-18-32)25(31-26(33)22-9-5-2-6-10-22)27(34)30-19-20-7-3-1-4-8-20/h1-14,21,25H,15-19H2,(H,30,34)(H,31,33)/t25-/m0/s1.
What are the key properties of N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
N-[(1S)-2-(benzylamino)-1-[1-(4-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-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 93199377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).