(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C16H24N4O2 — CID 96579570

IUPAC(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(c3cnccn3)C2)CN1CCCO
InChIInChI=1S/C16H24N4O2/c21-10-2-9-20-13-16(5-3-15(20)22)4-1-8-19(12-16)14-11-17-6-7-18-14/h6-7,11,21H,1-5,8-10,12-13H2/t16-/m0/s1
InChIKeyKMQNHULFZJOAHZ-INIZCTEOSA-N
MW304.39 g/mol
LogP1.07
Rot. Bonds4

About (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96579570) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96579570
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(c3cnccn3)C2)CN1CCCO
InChIInChI=1S/C16H24N4O2/c21-10-2-9-20-13-16(5-3-15(20)22)4-1-8-19(12-16)14-11-17-6-7-18-14/h6-7,11,21H,1-5,8-10,12-13H2/t16-/m0/s1
InChIKeyKMQNHULFZJOAHZ-INIZCTEOSA-N
XLogP1.07
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70771931
2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70750354
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate
CID 70771539
(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97133670
(6R)-2-(3-hydroxypropyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580737
(6R)-2-(3-hydroxypropyl)-8-[4-methyl-6-(methylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96579032
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile
CID 72883632
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725420

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 96579570) is (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@]2(CCCN(c3cnccn3)C2)CN1CCCO.
What is the InChIKey of (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is KMQNHULFZJOAHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-10-2-9-20-13-16(5-3-15(20)22)4-1-8-19(12-16)14-11-17-6-7-18-14/h6-7,11,21H,1-5,8-10,12-13H2/t16-/m0/s1.
What are the key properties of (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 304.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96579570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).