(6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

C19H25ClN2O3 — CID 164694799

IUPAC(6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(CCCc1ccc(Cl)cc1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H25ClN2O3/c20-15-7-5-14(6-8-15)3-1-4-17(24)22-12-9-16(23)19(13-22)10-2-11-21-18(19)25/h5-8,16,23H,1-4,9-13H2,(H,21,25)/t16-,19+/m0/s1
InChIKeyURKGDWZMYUPITB-QFBILLFUSA-N
MW364.87 g/mol
LogP2.15
Rot. Bonds4

About (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164694799) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164694799
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name(6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(CCCc1ccc(Cl)cc1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H25ClN2O3/c20-15-7-5-14(6-8-15)3-1-4-17(24)22-12-9-16(23)19(13-22)10-2-11-21-18(19)25/h5-8,16,23H,1-4,9-13H2,(H,21,25)/t16-,19+/m0/s1
InChIKeyURKGDWZMYUPITB-QFBILLFUSA-N
XLogP2.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163305810
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471
formic acid;(6R,11S)-11-hydroxy-8-[4-(1,2,4-triazol-1-yl)butanoyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 166597986
(6R,11R)-11-hydroxy-8-[2-(4-methylphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163318425
(6R,11S)-8-[2-[cyclopentyl(methyl)amino]acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one;formic acid
CID 154920989
(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163314517
(6R,11S)-11-hydroxy-8-[2-(2-phenylmethoxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 165419324
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
(6R,11S)-8-(4-chloro-3-methylbenzoyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164692516
(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164696122
(6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164694482
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 164694799) is (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is O=C(CCCc1ccc(Cl)cc1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is URKGDWZMYUPITB-QFBILLFUSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c20-15-7-5-14(6-8-15)3-1-4-17(24)22-12-9-16(23)19(13-22)10-2-11-21-18(19)25/h5-8,16,23H,1-4,9-13H2,(H,21,25)/t16-,19+/m0/s1.
What are the key properties of (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 364.87 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164694799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).