2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H28N4O2 — CID 72907096

IUPAC2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-21-11-7-16(20-21)18(25)22-12-9-19(10-13-22)8-6-17(24)23(14-19)15-4-2-3-5-15/h7,11,15H,2-6,8-10,12-14H2,1H3
InChIKeyTWSIYLGNLMGORP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.21
Rot. Bonds2

About 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72907096) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72907096
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-21-11-7-16(20-21)18(25)22-12-9-19(10-13-22)8-6-17(24)23(14-19)15-4-2-3-5-15/h7,11,15H,2-6,8-10,12-14H2,1H3
InChIKeyTWSIYLGNLMGORP-UHFFFAOYSA-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

(8aR,11aS)-1-(2-ethylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201569
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
2-cyclopentyl-8-[2-(5-methyl-1H-pyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731577
2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997
2-Ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738748
9-(2-Methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 118739526
(1-Ethyl-3-pyrazolyl)piperidinomethanone
CID 25855597
1-(1-Methyl-1H-pyrazole-5-carbonyl)-2-[2-(pyrrolidin-1-YL)ethyl]piperidine
CID 53193393

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72907096) is 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cn1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1.
What is the InChIKey of 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is TWSIYLGNLMGORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-11-7-16(20-21)18(25)22-12-9-19(10-13-22)8-6-17(24)23(14-19)15-4-2-3-5-15/h7,11,15H,2-6,8-10,12-14H2,1H3.
What are the key properties of 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-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 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72907096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).