(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone

C21H31N3O2 — CID 119895647

IUPAC(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1
InChIInChI=1S/C21H31N3O2/c25-20(19-15-22-11-14-26-19)23-12-13-24(16-18-7-3-1-4-8-18)21(17-23)9-5-2-6-10-21/h1,3-4,7-8,19,22H,2,5-6,9-17H2
InChIKeyFIPKXGSFKOYVMZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.02
Rot. Bonds3

About (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone

(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone (PubChem CID 119895647) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone
PubChem CID119895647
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1
InChIInChI=1S/C21H31N3O2/c25-20(19-15-22-11-14-26-19)23-12-13-24(16-18-7-3-1-4-8-18)21(17-23)9-5-2-6-10-21/h1,3-4,7-8,19,22H,2,5-6,9-17H2
InChIKeyFIPKXGSFKOYVMZ-UHFFFAOYSA-N
XLogP2.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone 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

morpholin-2-yl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698790
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616
3-azaspiro[5.5]undecan-3-yl(morpholin-2-yl)methanone;hydrochloride
CID 119768999
1-[4-(morpholine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 74237629
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067
[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119678332
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
(3-ethyl-4-phenylpiperidin-1-yl)-morpholin-2-ylmethanone
CID 119817683
4-amino-1-(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-3-methoxybutan-1-one;dihydrochloride
CID 120597300
5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid
CID 137480761
7-benzyl-2,7-diazaspiro[5.6]dodecane
CID 82623667

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone?
The IUPAC name of (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone (CID 119895647) is (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone.
What is the SMILES notation for (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone?
The canonical SMILES for (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone is O=C(C1CNCCO1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1.
What is the InChIKey of (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone?
The InChIKey is FIPKXGSFKOYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(19-15-22-11-14-26-19)23-12-13-24(16-18-7-3-1-4-8-18)21(17-23)9-5-2-6-10-21/h1,3-4,7-8,19,22H,2,5-6,9-17H2.
What are the key properties of (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone?
(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone has a molecular weight of 357.50 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone is sourced from PubChem (CID 119895647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).