(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H25ClN2O4 — CID 97113251

IUPAC(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@]2(CCCN(C(=O)c3ccc(Cl)cc3O)C2)CCC1=O
InChIInChI=1S/C19H25ClN2O4/c1-26-10-9-21-12-19(7-5-17(21)24)6-2-8-22(13-19)18(25)15-4-3-14(20)11-16(15)23/h3-4,11,23H,2,5-10,12-13H2,1H3/t19-/m0/s1
InChIKeyJPEBCQXDQHCBSL-IBGZPJMESA-N
MW380.87 g/mol
LogP2.54
Rot. Bonds4

About (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97113251) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97113251
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@]2(CCCN(C(=O)c3ccc(Cl)cc3O)C2)CCC1=O
InChIInChI=1S/C19H25ClN2O4/c1-26-10-9-21-12-19(7-5-17(21)24)6-2-8-22(13-19)18(25)15-4-3-14(20)11-16(15)23/h3-4,11,23H,2,5-10,12-13H2,1H3/t19-/m0/s1
InChIKeyJPEBCQXDQHCBSL-IBGZPJMESA-N
XLogP2.54
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-8-(5-chloro-2-methylbenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124569
8-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72913831
2-(2-methoxyethyl)-8-(2-methylsulfanylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72914540
2-(2-methoxyethyl)-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70706736
2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72856749
(6R)-8-(2-ethoxypyridine-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97131052
(6R)-8-(1-tert-butylpyrrole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124195
8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70788705
(6S)-2-(2-methoxyethyl)-8-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97150198
9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72877994
8-[2-(benzotriazol-2-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863454
8-[2-(4-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729809

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97113251) is (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1C[C@]2(CCCN(C(=O)c3ccc(Cl)cc3O)C2)CCC1=O.
What is the InChIKey of (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is JPEBCQXDQHCBSL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-26-10-9-21-12-19(7-5-17(21)24)6-2-8-22(13-19)18(25)15-4-3-14(20)11-16(15)23/h3-4,11,23H,2,5-10,12-13H2,1H3/t19-/m0/s1.
What are the key properties of (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.87 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97113251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).