(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one

C19H28N6O3 — CID 164696122

IUPAC(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H28N6O3/c26-15-3-8-25(14-19(15)4-1-5-20-17(19)28)16(27)13-23-9-11-24(12-10-23)18-21-6-2-7-22-18/h2,6-7,15,26H,1,3-5,8-14H2,(H,20,28)/t15-,19+/m0/s1
InChIKeyVTZDUXXZARWDTN-HNAYVOBHSA-N
MW388.47 g/mol
LogP-0.91
Rot. Bonds3

About (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164696122) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164696122
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H28N6O3/c26-15-3-8-25(14-19(15)4-1-5-20-17(19)28)16(27)13-23-9-11-24(12-10-23)18-21-6-2-7-22-18/h2,6-7,15,26H,1,3-5,8-14H2,(H,20,28)/t15-,19+/m0/s1
InChIKeyVTZDUXXZARWDTN-HNAYVOBHSA-N
XLogP-0.91
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one 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

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-(2,8-diazaspiro[4.5]decan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 91839669
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
(6R,11R)-8-[2-(4-fluorophenoxy)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691057
(6R,11R)-11-hydroxy-8-[2-(4-methylphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163318425
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 70707253
1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 135105492
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
(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
1-[(3S)-3-phenoxypyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 125158129
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 138382516

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 164696122) is (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one is O=C(CN1CCN(c2ncccn2)CC1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is VTZDUXXZARWDTN-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H28N6O3/c26-15-3-8-25(14-19(15)4-1-5-20-17(19)28)16(27)13-23-9-11-24(12-10-23)18-21-6-2-7-22-18/h2,6-7,15,26H,1,3-5,8-14H2,(H,20,28)/t15-,19+/m0/s1.
What are the key properties of (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 388.47 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164696122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).