1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one

C23H30N4O2 — CID 146098801

IUPAC1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one
SMILESCCn1ccc(C(=O)N2CCC3(CCN(C(=O)CC(C)c4ccccc4)C3)C2)n1
InChIInChI=1S/C23H30N4O2/c1-3-27-12-9-20(24-27)22(29)26-14-11-23(17-26)10-13-25(16-23)21(28)15-18(2)19-7-5-4-6-8-19/h4-9,12,18H,3,10-11,13-17H2,1-2H3
InChIKeyVANHQVVFRJJFTM-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.16
Rot. Bonds5

About 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one

1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one (PubChem CID 146098801) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one
PubChem CID146098801
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one
SMILESCCn1ccc(C(=O)N2CCC3(CCN(C(=O)CC(C)c4ccccc4)C3)C2)n1
InChIInChI=1S/C23H30N4O2/c1-3-27-12-9-20(24-27)22(29)26-14-11-23(17-26)10-13-25(16-23)21(28)15-18(2)19-7-5-4-6-8-19/h4-9,12,18H,3,10-11,13-17H2,1-2H3
InChIKeyVANHQVVFRJJFTM-UHFFFAOYSA-N
XLogP3.16
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one with MolForge

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Related Compounds

2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide
CID 110246315
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358
N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110243404
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
3-methyl-1-[3-(4-propan-2-ylphenyl)butanoyl]pyrrolidine-3-carboxylic acid
CID 119256999
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
(1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170509577
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 110197556
[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 124980278
3-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 91659823

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one (CID 146098801) is 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one is CCn1ccc(C(=O)N2CCC3(CCN(C(=O)CC(C)c4ccccc4)C3)C2)n1.
What is the InChIKey of 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one?
The InChIKey is VANHQVVFRJJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-27-12-9-20(24-27)22(29)26-14-11-23(17-26)10-13-25(16-23)21(28)15-18(2)19-7-5-4-6-8-19/h4-9,12,18H,3,10-11,13-17H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one?
1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one has a molecular weight of 394.52 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 146098801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).