(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N4O2 — CID 97156474

IUPAC(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C19H28N4O2/c1-21-13-15(12-20-21)17(24)22-11-9-19(14-22)8-5-10-23(18(19)25)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3/t19-/m1/s1
InChIKeyXPCJUVRQIFKYGI-LJQANCHMSA-N
MW344.46 g/mol
LogP2.21
Rot. Bonds2

About (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97156474) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97156474
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C19H28N4O2/c1-21-13-15(12-20-21)17(24)22-11-9-19(14-22)8-5-10-23(18(19)25)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3/t19-/m1/s1
InChIKeyXPCJUVRQIFKYGI-LJQANCHMSA-N
XLogP2.21
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
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CID 97127071
(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
7-cyclohexyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
(5R)-7-cyclohexyl-2-(2-fluorobenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97138081
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone
CID 124886336
1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 97118865
7-cyclopentyl-2-(4-fluoro-2-methylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72939478
7-cyclopentyl-2-(5-methoxyfuran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72928464
(5S)-2-(6-methoxypyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195142
2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11689002

Frequently Asked Questions

What is the IUPAC name of (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97156474) is (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cn1cc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cn1.
What is the InChIKey of (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XPCJUVRQIFKYGI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-13-15(12-20-21)17(24)22-11-9-19(14-22)8-5-10-23(18(19)25)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.46 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97156474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).