benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate

C25H30FN3O3 — CID 42880782

IUPACbenzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
SMILESO=C(Nc1ccc(F)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1
InChIInChI=1S/C25H30FN3O3/c26-21-6-8-22(9-7-21)27-24(30)20-10-14-28(15-11-20)23-12-16-29(17-13-23)25(31)32-18-19-4-2-1-3-5-19/h1-9,20,23H,10-18H2,(H,27,30)
InChIKeyAODPLVNDTHZEDZ-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.28
Rot. Bonds5

About benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate

benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 42880782) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID42880782
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Namebenzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
SMILESO=C(Nc1ccc(F)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1
InChIInChI=1S/C25H30FN3O3/c26-21-6-8-22(9-7-21)27-24(30)20-10-14-28(15-11-20)23-12-16-29(17-13-23)25(31)32-18-19-4-2-1-3-5-19/h1-9,20,23H,10-18H2,(H,27,30)
InChIKeyAODPLVNDTHZEDZ-UHFFFAOYSA-N
XLogP4.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate
CID 20787792
benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
CID 170459932
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate (CID 42880782) is benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate is O=C(Nc1ccc(F)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1.
What is the InChIKey of benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is AODPLVNDTHZEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c26-21-6-8-22(9-7-21)27-24(30)20-10-14-28(15-11-20)23-12-16-29(17-13-23)25(31)32-18-19-4-2-1-3-5-19/h1-9,20,23H,10-18H2,(H,27,30).
What are the key properties of benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate?
benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 439.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 42880782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).