(4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate

C24H28F2N2O3 — CID 137372796

IUPAC(4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
SMILESCC(C)CC(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C24H28F2N2O3/c1-16(2)15-22(27-23(29)18-3-5-19(25)6-4-18)17-11-13-28(14-12-17)24(30)31-21-9-7-20(26)8-10-21/h3-10,16-17,22H,11-15H2,1-2H3,(H,27,29)
InChIKeyCMQUBCHALXQNIX-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.02
Rot. Bonds6

About (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate

(4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate (PubChem CID 137372796) has the molecular formula C24H28F2N2O3 and a molecular weight of 430.50 g/mol. Its IUPAC name is (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
PubChem CID137372796
Molecular FormulaC24H28F2N2O3
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name(4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
SMILESCC(C)CC(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C24H28F2N2O3/c1-16(2)15-22(27-23(29)18-3-5-19(25)6-4-18)17-11-13-28(14-12-17)24(30)31-21-9-7-20(26)8-10-21/h3-10,16-17,22H,11-15H2,1-2H3,(H,27,29)
InChIKeyCMQUBCHALXQNIX-UHFFFAOYSA-N
XLogP5.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(2,3-dimethylphenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372923
(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372714
(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372752
(3-fluoro-2-methylphenyl) 4-[1-[(4-fluorobenzoyl)amino]-4-methoxybutyl]piperidine-1-carboxylate
CID 137372955
1,3-thiazol-2-ylmethyl 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372781
tert-butyl 4-[(1R)-1-[(4-fluorobenzoyl)amino]-4-phenylmethoxybutyl]piperidine-1-carboxylate
CID 137385223
N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46151791
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
CID 93178716
4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93196747
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178764
ethyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 78780462

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
The IUPAC name of (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate (CID 137372796) is (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
The canonical SMILES for (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate is CC(C)CC(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Oc2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
The InChIKey is CMQUBCHALXQNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O3/c1-16(2)15-22(27-23(29)18-3-5-19(25)6-4-18)17-11-13-28(14-12-17)24(30)31-21-9-7-20(26)8-10-21/h3-10,16-17,22H,11-15H2,1-2H3,(H,27,29).
What are the key properties of (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
(4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate has a molecular weight of 430.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate is sourced from PubChem (CID 137372796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).