N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide

C18H29N5O3 — CID 72891932

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(C)n(CCCN(C)C(=O)CN2CC3(CCNCC3)OC2=O)n1
InChIInChI=1S/C18H29N5O3/c1-14-11-15(2)23(20-14)10-4-9-21(3)16(24)12-22-13-18(26-17(22)25)5-7-19-8-6-18/h11,19H,4-10,12-13H2,1-3H3
InChIKeyBNBDKTASFKMSGG-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.92
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 72891932) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID72891932
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(C)n(CCCN(C)C(=O)CN2CC3(CCNCC3)OC2=O)n1
InChIInChI=1S/C18H29N5O3/c1-14-11-15(2)23(20-14)10-4-9-21(3)16(24)12-22-13-18(26-17(22)25)5-7-19-8-6-18/h11,19H,4-10,12-13H2,1-3H3
InChIKeyBNBDKTASFKMSGG-UHFFFAOYSA-N
XLogP0.92
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776689
N-ethyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 72921775
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452950
3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 114230520
3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72844562
3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 154899697
2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol
CID 146043570
6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1,4-oxazepan-6-ol
CID 70778236
3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97270475
3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 154925029
N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 104974452

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 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) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide is Cc1cc(C)n(CCCN(C)C(=O)CN2CC3(CCNCC3)OC2=O)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is BNBDKTASFKMSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14-11-15(2)23(20-14)10-4-9-21(3)16(24)12-22-13-18(26-17(22)25)5-7-19-8-6-18/h11,19H,4-10,12-13H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 72891932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).