1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide

C20H25N3O3 — CID 97195400

IUPAC1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
SMILESCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)C1(C(N)=O)CC1)CC2
InChIInChI=1S/C20H25N3O3/c1-22-16(24)15(14-5-3-2-4-6-14)13-19(22)9-11-23(12-10-19)18(26)20(7-8-20)17(21)25/h2-6,15H,7-13H2,1H3,(H2,21,25)/t15-/m1/s1
InChIKeyMMJIXNCCXQJYNQ-OAHLLOKOSA-N
MW355.44 g/mol
LogP1.26
Rot. Bonds3

About 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide

1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide (PubChem CID 97195400) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
PubChem CID97195400
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
SMILESCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)C1(C(N)=O)CC1)CC2
InChIInChI=1S/C20H25N3O3/c1-22-16(24)15(14-5-3-2-4-6-14)13-19(22)9-11-23(12-10-19)18(26)20(7-8-20)17(21)25/h2-6,15H,7-13H2,1H3,(H2,21,25)/t15-/m1/s1
InChIKeyMMJIXNCCXQJYNQ-OAHLLOKOSA-N
XLogP1.26
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[2-[(3S)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 97201484
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131659093
(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97204970
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72880607
5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97199375
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide (CID 97195400) is 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide is CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)C1(C(N)=O)CC1)CC2.
What is the InChIKey of 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is MMJIXNCCXQJYNQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22-16(24)15(14-5-3-2-4-6-14)13-19(22)9-11-23(12-10-19)18(26)20(7-8-20)17(21)25/h2-6,15H,7-13H2,1H3,(H2,21,25)/t15-/m1/s1.
What are the key properties of 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide?
1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97195400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).