[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone

C20H31N3O3 — CID 97397952

IUPAC[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone
SMILESCN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3cccc(O)c3)C2)C1
InChIInChI=1S/C20H31N3O3/c1-21(2)9-10-22-11-12-26-16-20(14-22)7-4-8-23(15-20)19(25)17-5-3-6-18(24)13-17/h3,5-6,13,24H,4,7-12,14-16H2,1-2H3/t20-/m0/s1
InChIKeyNNRHKJHPPUYTHI-FQEVSTJZSA-N
MW361.49 g/mol
LogP1.51
Rot. Bonds4

About [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone

[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone (PubChem CID 97397952) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone
PubChem CID97397952
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone
SMILESCN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3cccc(O)c3)C2)C1
InChIInChI=1S/C20H31N3O3/c1-21(2)9-10-22-11-12-26-16-20(14-22)7-4-8-23(15-20)19(25)17-5-3-6-18(24)13-17/h3,5-6,13,24H,4,7-12,14-16H2,1-2H3/t20-/m0/s1
InChIKeyNNRHKJHPPUYTHI-FQEVSTJZSA-N
XLogP1.51
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone 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

[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone
CID 97397948
[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 131661217
[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155850601
8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744129
1-[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)
CID 118745816
(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(1-methylpyrrol-2-yl)methanone
CID 134070386
(6R)-11-ethyl-N,N-dimethyl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97372899
3-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carbonyl]benzonitrile
CID 97471967
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 134072768
3H-benzimidazol-5-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 131654404
3H-benzimidazol-5-yl-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398087

Frequently Asked Questions

What is the IUPAC name of [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone (CID 97397952) is [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone is CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3cccc(O)c3)C2)C1.
What is the InChIKey of [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is NNRHKJHPPUYTHI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-21(2)9-10-22-11-12-26-16-20(14-22)7-4-8-23(15-20)19(25)17-5-3-6-18(24)13-17/h3,5-6,13,24H,4,7-12,14-16H2,1-2H3/t20-/m0/s1.
What are the key properties of [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone?
[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 361.49 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 97397952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).