N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide

C16H25N5O3 — CID 72921775

IUPACN-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)CN1CC2(CCNCC2)OC1=O
InChIInChI=1S/C16H25N5O3/c1-2-19(10-11-21-9-3-6-18-21)14(22)12-20-13-16(24-15(20)23)4-7-17-8-5-16/h3,6,9,17H,2,4-5,7-8,10-13H2,1H3
InChIKeyDZEJYSPIRLNZAJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.31
Rot. Bonds6

About N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide

N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 72921775) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID72921775
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)CN1CC2(CCNCC2)OC1=O
InChIInChI=1S/C16H25N5O3/c1-2-19(10-11-21-9-3-6-18-21)14(22)12-20-13-16(24-15(20)23)4-7-17-8-5-16/h3,6,9,17H,2,4-5,7-8,10-13H2,1H3
InChIKeyDZEJYSPIRLNZAJ-UHFFFAOYSA-N
XLogP0.31
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 72891932
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 72906523
N-ethyl-2-[(2S)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 26319976
N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide
CID 91777883
N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 72844302
3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 154925029
3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97270475
(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97120937
N-ethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45181613
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 56865921
N-ethyl-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56741638

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide (CID 72921775) is N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide is CCN(CCn1cccn1)C(=O)CN1CC2(CCNCC2)OC1=O.
What is the InChIKey of N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is DZEJYSPIRLNZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-2-19(10-11-21-9-3-6-18-21)14(22)12-20-13-16(24-15(20)23)4-7-17-8-5-16/h3,6,9,17H,2,4-5,7-8,10-13H2,1H3.
What are the key properties of N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 72921775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).