N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C17H31N3O2 — CID 87053396

IUPACN-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)CC1CN(C(=O)NC2CCCC2)CC12CCOCC2
InChIInChI=1S/C17H31N3O2/c1-19(2)11-14-12-20(13-17(14)7-9-22-10-8-17)16(21)18-15-5-3-4-6-15/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyNKPLHXFISXOWQT-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.93
Rot. Bonds3

About N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 87053396) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID87053396
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)CC1CN(C(=O)NC2CCCC2)CC12CCOCC2
InChIInChI=1S/C17H31N3O2/c1-19(2)11-14-12-20(13-17(14)7-9-22-10-8-17)16(21)18-15-5-3-4-6-15/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyNKPLHXFISXOWQT-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 87053396) is N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CN(C)CC1CN(C(=O)NC2CCCC2)CC12CCOCC2.
What is the InChIKey of N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is NKPLHXFISXOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-19(2)11-14-12-20(13-17(14)7-9-22-10-8-17)16(21)18-15-5-3-4-6-15/h14-15H,3-13H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 87053396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).