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

C18H25ClFN3O3 — CID 120791565

IUPAC1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H24FN3O3.ClH/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);1H/t15-,16+;/m1./s1
InChIKeyNORYZZQREFWTBQ-RCPFAERMSA-N
MW385.87 g/mol
LogP1.93
Rot. Bonds4

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

1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120791565) has the molecular formula C18H25ClFN3O3 and a molecular weight of 385.87 g/mol. Its IUPAC name is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120791565
Molecular FormulaC18H25ClFN3O3
Molecular Weight385.87 g/mol
Exact Mass385.16
IUPAC Name1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C18H24FN3O3.ClH/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);1H/t15-,16+;/m1./s1
InChIKeyNORYZZQREFWTBQ-RCPFAERMSA-N
XLogP1.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 51.93
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
CID 120791566
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
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
(2S,5R)-5-(aminomethyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785137
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 120790445
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(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
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 120795779
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120785269

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (CID 120791565) is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is NORYZZQREFWTBQ-RCPFAERMSA-N. The full InChI is InChI=1S/C18H24FN3O3.ClH/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);1H/t15-,16+;/m1./s1.
What are the key properties of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 385.87 g/mol, XLogP of 1.93, 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;hydrochloride is sourced from PubChem (CID 120791565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).