(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

C21H31N3O2 — CID 124704452

IUPAC(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CC12CCNCC2
InChIInChI=1S/C21H31N3O2/c25-18-5-11-24(12-6-18)15-17-4-2-1-3-16(17)14-23-20(26)19-13-21(19)7-9-22-10-8-21/h1-4,18-19,22,25H,5-15H2,(H,23,26)/t19-/m1/s1
InChIKeyLVYSGFRZOWDCFD-LJQANCHMSA-N
MW357.50 g/mol
LogP1.65
Rot. Bonds5

About (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 124704452) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID124704452
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CC12CCNCC2
InChIInChI=1S/C21H31N3O2/c25-18-5-11-24(12-6-18)15-17-4-2-1-3-16(17)14-23-20(26)19-13-21(19)7-9-22-10-8-21/h1-4,18-19,22,25H,5-15H2,(H,23,26)/t19-/m1/s1
InChIKeyLVYSGFRZOWDCFD-LJQANCHMSA-N
XLogP1.65
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119895713
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124704379
1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119895679
N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 106416786
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 71980057
N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 103872581
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
(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 (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 124704452) is (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CC12CCNCC2.
What is the InChIKey of (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is LVYSGFRZOWDCFD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-18-5-11-24(12-6-18)15-17-4-2-1-3-16(17)14-23-20(26)19-13-21(19)7-9-22-10-8-21/h1-4,18-19,22,25H,5-15H2,(H,23,26)/t19-/m1/s1.
What are the key properties of (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 124704452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).