[(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone

C18H22ClN3O2 — CID 124699476

IUPAC[(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C18H22ClN3O2/c19-12-4-5-16-15(10-12)21-17(24-16)11-6-8-22(9-7-11)18(23)13-2-1-3-14(13)20/h4-5,10-11,13-14H,1-3,6-9,20H2/t13-,14+/m0/s1
InChIKeyIUKQHYRGFGSCSI-UONOGXRCSA-N
MW347.85 g/mol
LogP3.31
Rot. Bonds2

About [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone

[(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone (PubChem CID 124699476) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
PubChem CID124699476
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name[(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C18H22ClN3O2/c19-12-4-5-16-15(10-12)21-17(24-16)11-6-8-22(9-7-11)18(23)13-2-1-3-14(13)20/h4-5,10-11,13-14H,1-3,6-9,20H2/t13-,14+/m0/s1
InChIKeyIUKQHYRGFGSCSI-UONOGXRCSA-N
XLogP3.31
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119856661
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one
CID 120503150
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 55969198
4-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutanamide
CID 155937605
(2S)-2-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 119856629
2-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798570
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953251
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 71939783
4-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120564823
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-cyclobutyloxyphenyl)methanone
CID 86971735
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71891242
methyl N-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 51124820

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone (CID 124699476) is [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone is N[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is IUKQHYRGFGSCSI-UONOGXRCSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-12-4-5-16-15(10-12)21-17(24-16)11-6-8-22(9-7-11)18(23)13-2-1-3-14(13)20/h4-5,10-11,13-14H,1-3,6-9,20H2/t13-,14+/m0/s1.
What are the key properties of [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone?
[(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 347.85 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclopentyl]-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124699476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).