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

C20H33N3O3 — CID 87054523

IUPACN-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1CCCC1)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C20H33N3O3/c24-18(22-10-4-1-5-11-22)17-14-23(15-20(17)8-12-26-13-9-20)19(25)21-16-6-2-3-7-16/h16-17H,1-15H2,(H,21,25)
InChIKeyYIHJSZNMGFILAJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.38
Rot. Bonds2

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

N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 87054523) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID87054523
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1CCCC1)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C20H33N3O3/c24-18(22-10-4-1-5-11-22)17-14-23(15-20(17)8-12-26-13-9-20)19(25)21-16-6-2-3-7-16/h16-17H,1-15H2,(H,21,25)
InChIKeyYIHJSZNMGFILAJ-UHFFFAOYSA-N
XLogP2.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 87054523) is N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(NC1CCCC1)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is YIHJSZNMGFILAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c24-18(22-10-4-1-5-11-22)17-14-23(15-20(17)8-12-26-13-9-20)19(25)21-16-6-2-3-7-16/h16-17H,1-15H2,(H,21,25).
What are the key properties of N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 87054523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).