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

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Related Compounds

2-N,2-N-dimethyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 118740706
N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118741201
4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87053397
N-Cyclohexyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922023
4-(methoxymethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922024
N~8~-Cyclohexyl-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922093
2-Acetyl-4-(methoxymethyl)-N~8~-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922152
N-cyclopentyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 110197860
4-N,4-N-dimethyl-2-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 110876631
N-({8-Oxa-2-azaspiro[4.5]decan-4-YL}methyl)pyrrolidine-1-carboxamide
CID 124041423
N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 113245472
N-(3-methylcyclobutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971652

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).