(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C21H26N4O2 — CID 97204422

IUPAC(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C21H26N4O2/c1-2-6-18-17(14-22-24-18)20(27)25-11-9-21(10-12-25)13-16(19(26)23-21)15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3,(H,22,24)(H,23,26)/t16-/m1/s1
InChIKeyXCIOMWVDTJGSHE-MRXNPFEDSA-N
MW366.47 g/mol
LogP2.64
Rot. Bonds4

About (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97204422) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97204422
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C21H26N4O2/c1-2-6-18-17(14-22-24-18)20(27)25-11-9-21(10-12-25)13-16(19(26)23-21)15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3,(H,22,24)(H,23,26)/t16-/m1/s1
InChIKeyXCIOMWVDTJGSHE-MRXNPFEDSA-N
XLogP2.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190010
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203710
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97210266
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72865421
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70745523
(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97205646
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
8-(2-methylbenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155842799
8-(morpholine-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074619

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97204422) is (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is CCCc1[nH]ncc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2.
What is the InChIKey of (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XCIOMWVDTJGSHE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-6-18-17(14-22-24-18)20(27)25-11-9-21(10-12-25)13-16(19(26)23-21)15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3,(H,22,24)(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97204422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).