N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide

C16H23N5O4 — CID 97471491

IUPACN-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)CN(c1cnn(C)c1)C(=O)CO2
InChIInChI=1S/C16H23N5O4/c1-12(22)17-8-14(23)20-5-3-16(4-6-20)11-21(15(24)10-25-16)13-7-18-19(2)9-13/h7,9H,3-6,8,10-11H2,1-2H3,(H,17,22)
InChIKeyLNFGPGHTUYGNHM-UHFFFAOYSA-N
MW349.39 g/mol
LogP-0.72
Rot. Bonds3

About N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide

N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide (PubChem CID 97471491) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
PubChem CID97471491
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC NameN-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)CN(c1cnn(C)c1)C(=O)CO2
InChIInChI=1S/C16H23N5O4/c1-12(22)17-8-14(23)20-5-3-16(4-6-20)11-21(15(24)10-25-16)13-7-18-19(2)9-13/h7,9H,3-6,8,10-11H2,1-2H3,(H,17,22)
InChIKeyLNFGPGHTUYGNHM-UHFFFAOYSA-N
XLogP-0.72
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471486
4-(1-methylpyrazol-4-yl)-9-(pyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451125
4-(1-methylpyrazol-4-yl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743868
8-(1-fluorocyclobutanecarbonyl)-4-(1-methylpyrazol-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685128
4-(1-methylpyrazol-4-yl)-8-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685265
9-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451101
(6S)-4-(4-methylphenyl)-10-[6-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125005968
9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999107
4-phenyl-9-(3-phenylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986038
4-(1-methylpyrazol-4-yl)-9-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 15980404
4-(1-methylpyrazol-4-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131659682
8-cyclopropylsulfonyl-4-(1-methylpyrazol-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 133139681

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide (CID 97471491) is N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC2(CC1)CN(c1cnn(C)c1)C(=O)CO2.
What is the InChIKey of N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
The InChIKey is LNFGPGHTUYGNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-12(22)17-8-14(23)20-5-3-16(4-6-20)11-21(15(24)10-25-16)13-7-18-19(2)9-13/h7,9H,3-6,8,10-11H2,1-2H3,(H,17,22).
What are the key properties of N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide has a molecular weight of 349.39 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methylpyrazol-4-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 97471491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).