7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N4O2 — CID 45194522

IUPAC7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cn[nH]c1)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c24-17(16-11-20-21-12-16)23-10-8-19(14-23)7-4-9-22(18(19)25)13-15-5-2-1-3-6-15/h11-12,15H,1-10,13-14H2,(H,20,21)
InChIKeyMBFNHQPHERYGSS-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.44
Rot. Bonds3

About 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45194522) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45194522
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cn[nH]c1)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c24-17(16-11-20-21-12-16)23-10-8-19(14-23)7-4-9-22(18(19)25)13-15-5-2-1-3-6-15/h11-12,15H,1-10,13-14H2,(H,20,21)
InChIKeyMBFNHQPHERYGSS-UHFFFAOYSA-N
XLogP2.44
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45194522) is 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1cn[nH]c1)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MBFNHQPHERYGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-17(16-11-20-21-12-16)23-10-8-19(14-23)7-4-9-22(18(19)25)13-15-5-2-1-3-6-15/h11-12,15H,1-10,13-14H2,(H,20,21).
What are the key properties of 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.46 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45194522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).