(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate

C20H24FN3O3 — CID 10270687

IUPAC(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCn1cccc1C(=O)NCC1CCN(C(=O)OCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O3/c1-23-10-2-3-18(23)19(25)22-13-15-8-11-24(12-9-15)20(26)27-14-16-4-6-17(21)7-5-16/h2-7,10,15H,8-9,11-14H2,1H3,(H,22,25)
InChIKeyZZQFNUNFJIAAOB-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.94
Rot. Bonds5

About (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate

(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 10270687) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate
PubChem CID10270687
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCn1cccc1C(=O)NCC1CCN(C(=O)OCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O3/c1-23-10-2-3-18(23)19(25)22-13-15-8-11-24(12-9-15)20(26)27-14-16-4-6-17(21)7-5-16/h2-7,10,15H,8-9,11-14H2,1H3,(H,22,25)
InChIKeyZZQFNUNFJIAAOB-UHFFFAOYSA-N
XLogP2.94
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
CID 170459932
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10132923
(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58933569
benzyl 4-[[(5-hydroxypyrimidine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933592
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059
(4-fluorophenyl)methyl (7R)-7-[[(4-hydroxybenzoyl)amino]methyl]-1,4-oxazepane-4-carboxylate
CID 58933863
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 10134633
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate (CID 10270687) is (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate is Cn1cccc1C(=O)NCC1CCN(C(=O)OCc2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is ZZQFNUNFJIAAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-23-10-2-3-18(23)19(25)22-13-15-8-11-24(12-9-15)20(26)27-14-16-4-6-17(21)7-5-16/h2-7,10,15H,8-9,11-14H2,1H3,(H,22,25).
What are the key properties of (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10270687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).