1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide

C18H24FN3O3 — CID 120791566

IUPAC1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H24FN3O3/c19-13-1-3-14(4-2-13)21-17(23)12-7-9-22(10-8-12)18(24)16-6-5-15(11-20)25-16/h1-4,12,15-16H,5-11,20H2,(H,21,23)/t15-,16+/m1/s1
InChIKeyHHRUEGBXYUGPGF-CVEARBPZSA-N
MW349.41 g/mol
LogP1.51
Rot. Bonds4

About 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide

1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 120791566) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
PubChem CID120791566
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H24FN3O3/c19-13-1-3-14(4-2-13)21-17(23)12-7-9-22(10-8-12)18(24)16-6-5-15(11-20)25-16/h1-4,12,15-16H,5-11,20H2,(H,21,23)/t15-,16+/m1/s1
InChIKeyHHRUEGBXYUGPGF-CVEARBPZSA-N
XLogP1.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120791565
1-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 120788435
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120790556
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-phenylacetamide
CID 120797578
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785137
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 120791566) is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide is NC[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)O1.
What is the InChIKey of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is HHRUEGBXYUGPGF-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-13-1-3-14(4-2-13)21-17(23)12-7-9-22(10-8-12)18(24)16-6-5-15(11-20)25-16/h1-4,12,15-16H,5-11,20H2,(H,21,23)/t15-,16+/m1/s1.
What are the key properties of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide?
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 120791566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).