N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C24H28FN3O3 — CID 42840448

IUPACN-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)C(NC(=O)c1ccccc1)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H28FN3O3/c1-16(2)26-23(30)21(27-22(29)18-8-4-3-5-9-18)17-12-14-28(15-13-17)24(31)19-10-6-7-11-20(19)25/h3-11,16-17,21H,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyCDCQLMQGQQYJFO-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.00
Rot. Bonds6

About N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide

N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 42840448) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID42840448
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)C(NC(=O)c1ccccc1)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H28FN3O3/c1-16(2)26-23(30)21(27-22(29)18-8-4-3-5-9-18)17-12-14-28(15-13-17)24(31)19-10-6-7-11-20(19)25/h3-11,16-17,21H,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyCDCQLMQGQQYJFO-UHFFFAOYSA-N
XLogP3.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196655
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020543
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197437
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
N-[1-(1-benzoylpiperidin-4-yl)-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 42840462
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198980
N-[2-(butan-2-ylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 46019064
N-[(1R)-2-(diethylamino)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178801
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 93196442
2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93196379
4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200079
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 93196404

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 42840448) is N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)C(NC(=O)c1ccccc1)C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is CDCQLMQGQQYJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-16(2)26-23(30)21(27-22(29)18-8-4-3-5-9-18)17-12-14-28(15-13-17)24(31)19-10-6-7-11-20(19)25/h3-11,16-17,21H,12-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 425.50 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 42840448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).