8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C22H28N4O2 — CID 72838334

IUPAC8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1cc(C(=O)N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)cn1
InChIInChI=1S/C22H28N4O2/c1-24-16-19(15-23-24)21(28)25-12-9-22(10-13-25)14-20(27)26(17-22)11-5-8-18-6-3-2-4-7-18/h2-4,6-7,15-16H,5,8-14,17H2,1H3
InChIKeyWRRBTZBTARMLJR-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.51
Rot. Bonds5

About 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72838334) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72838334
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1cc(C(=O)N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)cn1
InChIInChI=1S/C22H28N4O2/c1-24-16-19(15-23-24)21(28)25-12-9-22(10-13-25)14-20(27)26(17-22)11-5-8-18-6-3-2-4-7-18/h2-4,6-7,15-16H,5,8-14,17H2,1H3
InChIKeyWRRBTZBTARMLJR-UHFFFAOYSA-N
XLogP2.51
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9670157, 85 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide
CID 86290349
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-2-cyclohexylethyl)-N,1-diisopropyl-1H-pyrazole-4-carboxamide
CID 49862377
ethyl 1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16189201
(4-tert-butylphenyl){1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]-3-piperidinyl}methanone
CID 16189784
(4-tert-butylphenyl){1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinyl}methanone
CID 16190561
1-[2-(3-fluorophenyl)ethyl]-N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24790341
1-[(3-fluorophenyl)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24790670
ethyl 3-benzyl-1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinecarboxylate
CID 24791155
2-[(1,5-Dimethylpyrazol-4-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 137633167
(4-Benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9041254
N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 18119960

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72838334) is 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is Cn1cc(C(=O)N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)cn1.
What is the InChIKey of 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WRRBTZBTARMLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-24-16-19(15-23-24)21(28)25-12-9-22(10-13-25)14-20(27)26(17-22)11-5-8-18-6-3-2-4-7-18/h2-4,6-7,15-16H,5,8-14,17H2,1H3.
What are the key properties of 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 380.49 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazole-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72838334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).