N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C22H25ClN2O2 — CID 118754130

IUPACN-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CC12CCN(Cc1ccc(O)c(Cl)c1)CC2
InChIInChI=1S/C22H25ClN2O2/c23-19-12-17(6-7-20(19)26)15-25-10-8-22(9-11-25)13-18(22)21(27)24-14-16-4-2-1-3-5-16/h1-7,12,18,26H,8-11,13-15H2,(H,24,27)
InChIKeyJKWYUYUPNUMJRJ-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.96
Rot. Bonds5

About N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 118754130) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID118754130
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CC12CCN(Cc1ccc(O)c(Cl)c1)CC2
InChIInChI=1S/C22H25ClN2O2/c23-19-12-17(6-7-20(19)26)15-25-10-8-22(9-11-25)13-18(22)21(27)24-14-16-4-2-1-3-5-16/h1-7,12,18,26H,8-11,13-15H2,(H,24,27)
InChIKeyJKWYUYUPNUMJRJ-UHFFFAOYSA-N
XLogP3.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
(2R)-N-benzyl-6-[4-(piperidin-1-ylmethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42210163
N-benzyl-6-[(2,3,6-trifluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462966
6-[(3-phenoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126466559
6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463249
6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467180
(2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26325970
(2S)-6-[(4-acetamidophenyl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 25295241
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 56852963
(2R)-6-[(2-hydroxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26276877

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 118754130) is N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCc1ccccc1)C1CC12CCN(Cc1ccc(O)c(Cl)c1)CC2.
What is the InChIKey of N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is JKWYUYUPNUMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-19-12-17(6-7-20(19)26)15-25-10-8-22(9-11-25)13-18(22)21(27)24-14-16-4-2-1-3-5-16/h1-7,12,18,26H,8-11,13-15H2,(H,24,27).
What are the key properties of N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 118754130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).