N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C19H33N3O3 — CID 87054530

IUPACN-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)CNC(=O)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C19H33N3O3/c1-15(2)12-20-18(24)22-13-16(17(23)21-8-4-3-5-9-21)19(14-22)6-10-25-11-7-19/h15-16H,3-14H2,1-2H3,(H,20,24)
InChIKeyCORHURLIYHLDDP-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.09
Rot. Bonds3

About N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 87054530) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID87054530
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)CNC(=O)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C19H33N3O3/c1-15(2)12-20-18(24)22-13-16(17(23)21-8-4-3-5-9-21)19(14-22)6-10-25-11-7-19/h15-16H,3-14H2,1-2H3,(H,20,24)
InChIKeyCORHURLIYHLDDP-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 87054530) is N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CC(C)CNC(=O)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is CORHURLIYHLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-15(2)12-20-18(24)22-13-16(17(23)21-8-4-3-5-9-21)19(14-22)6-10-25-11-7-19/h15-16H,3-14H2,1-2H3,(H,20,24).
What are the key properties of N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 87054530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).