7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C19H28N4O2 — CID 45205270

IUPAC7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCc1cn[nH]c1)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c24-17(6-5-16-11-20-21-12-16)23-10-8-19(14-23)7-2-9-22(18(19)25)13-15-3-1-4-15/h11-12,15H,1-10,13-14H2,(H,20,21)
InChIKeyYDYUNIUUDBXNGZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.98
Rot. Bonds5

About 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45205270) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45205270
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCc1cn[nH]c1)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c24-17(6-5-16-11-20-21-12-16)23-10-8-19(14-23)7-2-9-22(18(19)25)13-15-3-1-4-15/h11-12,15H,1-10,13-14H2,(H,20,21)
InChIKeyYDYUNIUUDBXNGZ-UHFFFAOYSA-N
XLogP1.98
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72851681
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 25381889
N-[(1-Propylcyclobutyl)methyl]-3-(1H-pyrazol-4-YL)propanamide
CID 122562960
2-[3-(1H-pyrazol-4-yl)propanoyl]-2-azaspiro[4.6]undecane
CID 124219308
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125162490
1-[(4S)-4-tert-butylazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 125525311
(5S)-2-(cyclobutylmethyl)-7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 129540166
(5R)-2-(cyclobutylmethyl)-7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 129540167
(5R)-7,7-difluoro-2-methyl-9-(1H-pyrazol-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 129540172
(5S)-7,7-difluoro-2-methyl-9-(1H-pyrazol-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 129540173
(5R)-2-ethyl-7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 129540360

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45205270) is 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(CCc1cn[nH]c1)N1CCC2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YDYUNIUUDBXNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-17(6-5-16-11-20-21-12-16)23-10-8-19(14-23)7-2-9-22(18(19)25)13-15-3-1-4-15/h11-12,15H,1-10,13-14H2,(H,20,21).
What are the key properties of 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-[3-(1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45205270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).