(3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide

C18H24FN3O3 — CID 124739346

IUPAC(3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)C1
InChIInChI=1S/C18H24FN3O3/c19-14-7-5-12(6-8-14)16(15-4-2-10-25-15)21-17(23)13-3-1-9-22(11-13)18(20)24/h5-8,13,15-16H,1-4,9-11H2,(H2,20,24)(H,21,23)/t13-,15+,16-/m0/s1
InChIKeySMIKJTLUFNPTIK-IMJJTQAJSA-N
MW349.41 g/mol
LogP1.95
Rot. Bonds4

About (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 124739346) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide
PubChem CID124739346
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name(3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)C1
InChIInChI=1S/C18H24FN3O3/c19-14-7-5-12(6-8-14)16(15-4-2-10-25-15)21-17(23)13-3-1-9-22(11-13)18(20)24/h5-8,13,15-16H,1-4,9-11H2,(H2,20,24)(H,21,23)/t13-,15+,16-/m0/s1
InChIKeySMIKJTLUFNPTIK-IMJJTQAJSA-N
XLogP1.95
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methylsulfonylazepane-1-carboxamide
CID 167769059
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
CID 60547818
ethyl 1-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60547795
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 60547934
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
CID 9085378
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 124743427

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide (CID 124739346) is (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)C1.
What is the InChIKey of (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is SMIKJTLUFNPTIK-IMJJTQAJSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-14-7-5-12(6-8-14)16(15-4-2-10-25-15)21-17(23)13-3-1-9-22(11-13)18(20)24/h5-8,13,15-16H,1-4,9-11H2,(H2,20,24)(H,21,23)/t13-,15+,16-/m0/s1.
What are the key properties of (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 124739346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).