N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide

C20H29FN2O2 — CID 95142210

IUPACN-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)CC1
InChIInChI=1S/C20H29FN2O2/c1-15(2)23-10-7-16(8-11-23)19(24)22-13-20(9-12-25-14-20)17-3-5-18(21)6-4-17/h3-6,15-16H,7-14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyJQKMPIJALTWGMB-HXUWFJFHSA-N
MW348.46 g/mol
LogP2.72
Rot. Bonds5

About N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 95142210) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID95142210
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)CC1
InChIInChI=1S/C20H29FN2O2/c1-15(2)23-10-7-16(8-11-23)19(24)22-13-20(9-12-25-14-20)17-3-5-18(21)6-4-17/h3-6,15-16H,7-14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyJQKMPIJALTWGMB-HXUWFJFHSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94614538
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720
(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 94656646
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877832
5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95125429
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182430
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95128451
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
ethyl 1-[N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155122
1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 56921660
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 95142210) is N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)CC1.
What is the InChIKey of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is JQKMPIJALTWGMB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-15(2)23-10-7-16(8-11-23)19(24)22-13-20(9-12-25-14-20)17-3-5-18(21)6-4-17/h3-6,15-16H,7-14H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 95142210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).