methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate

C20H27FN2O4 — CID 51276366

IUPACmethyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O4/c1-13(2)11-17(20(26)27-3)22-18(24)15-5-4-10-23(12-15)19(25)14-6-8-16(21)9-7-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3,(H,22,24)
InChIKeyRFKXOKCMAZKNHX-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.38
Rot. Bonds6

About methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate

methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate (PubChem CID 51276366) has the molecular formula C20H27FN2O4 and a molecular weight of 378.44 g/mol. Its IUPAC name is methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate
PubChem CID51276366
Molecular FormulaC20H27FN2O4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Namemethyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O4/c1-13(2)11-17(20(26)27-3)22-18(24)15-5-4-10-23(12-15)19(25)14-6-8-16(21)9-7-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3,(H,22,24)
InChIKeyRFKXOKCMAZKNHX-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylpentanoate
CID 55406804
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103394
N-[1-(3-bromophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55577882
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
propan-2-yl (3R)-3-(2-chlorophenyl)-3-[[(3R)-1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]propanoate
CID 30207925

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate (CID 51276366) is methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate?
The InChIKey is RFKXOKCMAZKNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O4/c1-13(2)11-17(20(26)27-3)22-18(24)15-5-4-10-23(12-15)19(25)14-6-8-16(21)9-7-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate?
methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate has a molecular weight of 378.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate is sourced from PubChem (CID 51276366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).