N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C17H31N3O2 — CID 124777715

IUPACN-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESC[C@@H]1CCCN(C[C@H](C)NC(=O)N2CCOC3(CCC3)C2)C1
InChIInChI=1S/C17H31N3O2/c1-14-5-3-8-19(11-14)12-15(2)18-16(21)20-9-10-22-17(13-20)6-4-7-17/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyFWEBPJXJWUAMIK-CABCVRRESA-N
MW309.45 g/mol
LogP2.07
Rot. Bonds3

About N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 124777715) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID124777715
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESC[C@@H]1CCCN(C[C@H](C)NC(=O)N2CCOC3(CCC3)C2)C1
InChIInChI=1S/C17H31N3O2/c1-14-5-3-8-19(11-14)12-15(2)18-16(21)20-9-10-22-17(13-20)6-4-7-17/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyFWEBPJXJWUAMIK-CABCVRRESA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97231492
N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 75495442
N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97231378
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577460
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 75383166
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 47418559
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-ethylpiperidine-1-carboxamide
CID 102555348

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 124777715) is N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is C[C@@H]1CCCN(C[C@H](C)NC(=O)N2CCOC3(CCC3)C2)C1.
What is the InChIKey of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is FWEBPJXJWUAMIK-CABCVRRESA-N. The full InChI is InChI=1S/C17H31N3O2/c1-14-5-3-8-19(11-14)12-15(2)18-16(21)20-9-10-22-17(13-20)6-4-7-17/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 124777715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).