N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide

C22H31N3O3 — CID 171915570

IUPACN-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide
SMILESCN1CC(O)CC2(CCN(C(=O)c3ccc(NC(=O)C4CCC4)cc3)CC2)C1
InChIInChI=1S/C22H31N3O3/c1-24-14-19(26)13-22(15-24)9-11-25(12-10-22)21(28)17-5-7-18(8-6-17)23-20(27)16-3-2-4-16/h5-8,16,19,26H,2-4,9-15H2,1H3,(H,23,27)
InChIKeyKREFEPVYFVNVHJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.34
Rot. Bonds3

About N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide

N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide (PubChem CID 171915570) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide
PubChem CID171915570
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide
SMILESCN1CC(O)CC2(CCN(C(=O)c3ccc(NC(=O)C4CCC4)cc3)CC2)C1
InChIInChI=1S/C22H31N3O3/c1-24-14-19(26)13-22(15-24)9-11-25(12-10-22)21(28)17-5-7-18(8-6-17)23-20(27)16-3-2-4-16/h5-8,16,19,26H,2-4,9-15H2,1H3,(H,23,27)
InChIKeyKREFEPVYFVNVHJ-UHFFFAOYSA-N
XLogP2.34
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136538
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CID 134061665
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
(3aS,6aR)-2-[4-(cyclopropanecarbonylamino)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682338

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide (CID 171915570) is N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide is CN1CC(O)CC2(CCN(C(=O)c3ccc(NC(=O)C4CCC4)cc3)CC2)C1.
What is the InChIKey of N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide?
The InChIKey is KREFEPVYFVNVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-24-14-19(26)13-22(15-24)9-11-25(12-10-22)21(28)17-5-7-18(8-6-17)23-20(27)16-3-2-4-16/h5-8,16,19,26H,2-4,9-15H2,1H3,(H,23,27).
What are the key properties of N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide?
N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 171915570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).