[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone

C17H23ClN2O2 — CID 124593906

IUPAC[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
SMILESN[C@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1
InChIInChI=1S/C17H23ClN2O2/c18-15-6-2-1-5-14(15)17(7-10-22-11-8-17)16(21)20-9-3-4-13(19)12-20/h1-2,5-6,13H,3-4,7-12,19H2/t13-/m0/s1
InChIKeyRJLZNVKJBCEBIT-ZDUSSCGKSA-N
MW322.84 g/mol
LogP2.34
Rot. Bonds2

About [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone

[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone (PubChem CID 124593906) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
PubChem CID124593906
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
SMILESN[C@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1
InChIInChI=1S/C17H23ClN2O2/c18-15-6-2-1-5-14(15)17(7-10-22-11-8-17)16(21)20-9-3-4-13(19)12-20/h1-2,5-6,13H,3-4,7-12,19H2/t13-/m0/s1
InChIKeyRJLZNVKJBCEBIT-ZDUSSCGKSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 53506590
4-(2-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
CID 53501802
2-(4-{[1-(4-chlorophenyl)cyclobutyl]carbonyl}-3-morpholinyl)-N-methylacetamide
CID 56894118
[4-(4-Chlorophenyl)oxan-4-yl]-(4-fluoropiperidin-1-yl)methanone
CID 134788722
Sdccgsbi-0662798.P001
CID 134788074
[4-(4-Chlorophenyl)oxan-4-yl]-piperidin-1-ylmethanone
CID 35571784
4-{[4-(4-chlorophenyl)tetrahydro-2H-pyran-4-yl]carbonyl}morpholine
CID 35571786
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-phenyloxane-4-carboxamide
CID 45565758
1-[4-(4-Chlorophenyl)oxane-4-carbonyl]piperidine-4-carbonitrile
CID 49061332
2-(2-chlorophenyl)-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]acetamide
CID 91760361
1-{1-[2-(2-Chlorophenyl)acetyl]piperidin-4-YL}-1-(oxan-4-YL)-3-propylurea
CID 91906196

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone (CID 124593906) is [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone is N[C@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone?
The InChIKey is RJLZNVKJBCEBIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-6-2-1-5-14(15)17(7-10-22-11-8-17)16(21)20-9-3-4-13(19)12-20/h1-2,5-6,13H,3-4,7-12,19H2/t13-/m0/s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone?
[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone has a molecular weight of 322.84 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone is sourced from PubChem (CID 124593906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).