4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide

C25H32FN3O2 — CID 91916461

IUPAC4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H32FN3O2/c26-22-8-4-7-21(17-22)18-27-25(30)29-15-11-24(12-16-29)31-23-9-13-28(14-10-23)19-20-5-2-1-3-6-20/h1-8,17,23-24H,9-16,18-19H2,(H,27,30)
InChIKeySIRZWFDHLWYZTQ-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.18
Rot. Bonds6

About 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide

4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 91916461) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID91916461
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H32FN3O2/c26-22-8-4-7-21(17-22)18-27-25(30)29-15-11-24(12-16-29)31-23-9-13-28(14-10-23)19-20-5-2-1-3-6-20/h1-8,17,23-24H,9-16,18-19H2,(H,27,30)
InChIKeySIRZWFDHLWYZTQ-UHFFFAOYSA-N
XLogP4.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
CID 129105176
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-fluorophenyl)piperidine-1-carboxamide
CID 129105239
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide
CID 129105316
4-[(1-Benzylpiperidin-4-YL)oxy]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide
CID 91916446
N-cyclopentyl-4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919148
N-benzyl-N-[3-[benzyl(morpholine-4-carbonyl)amino]-2-hydroxy-propyl]morpholine-4-carboxamide
CID 469848
N-[(4-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 16033526
1-Cyclohexyl-3-(2-(4-fluorophenyl)-2-morpholinoethyl)urea
CID 18589037
N-(4-fluorobenzyl)-4-((2-methoxyethoxy)methyl)piperidine-1-carboxamide
CID 49677822
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 51124416
3-benzhydryl-1-(tetrahydro-2H-pyran-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 71796151

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide (CID 91916461) is 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide is O=C(NCc1cccc(F)c1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is SIRZWFDHLWYZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c26-22-8-4-7-21(17-22)18-27-25(30)29-15-11-24(12-16-29)31-23-9-13-28(14-10-23)19-20-5-2-1-3-6-20/h1-8,17,23-24H,9-16,18-19H2,(H,27,30).
What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide?
4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)oxy-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91916461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).