7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

C21H32N4O2 — CID 45225712

IUPAC7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCn1cccn1)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C21H32N4O2/c26-19(8-14-25-13-5-11-22-25)24-15-10-21(17-24)9-4-12-23(20(21)27)16-18-6-2-1-3-7-18/h5,11,13,18H,1-4,6-10,12,14-17H2
InChIKeyNJRFQDOUWSGYAG-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.69
Rot. Bonds5

About 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45225712) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45225712
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCn1cccn1)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C21H32N4O2/c26-19(8-14-25-13-5-11-22-25)24-15-10-21(17-24)9-4-12-23(20(21)27)16-18-6-2-1-3-7-18/h5,11,13,18H,1-4,6-10,12,14-17H2
InChIKeyNJRFQDOUWSGYAG-UHFFFAOYSA-N
XLogP2.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-(cyclopropylmethyl)-2-[3-(2-ethylimidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424303
(5R)-7-(cyclopropylmethyl)-2-[3-(2-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97131680
7-(cyclobutylmethyl)-2-[2-(2-oxopyrimidin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918553
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
7-(cyclopropylmethyl)-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72866575
(5R)-7-(cyclobutylmethyl)-2-[3-(1-methylpyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26404662
(5S)-7-(cyclopropylmethyl)-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122045
7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72898239
(5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97146998
7-(cyclobutylmethyl)-2-[2-(2-oxo-1-pyridinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853958
7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914
7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72852578

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45225712) is 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CCn1cccn1)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NJRFQDOUWSGYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-19(8-14-25-13-5-11-22-25)24-15-10-21(17-24)9-4-12-23(20(21)27)16-18-6-2-1-3-7-18/h5,11,13,18H,1-4,6-10,12,14-17H2.
What are the key properties of 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.51 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45225712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).