(6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H34N4O2 — CID 96574332

IUPAC(6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)(C)c1cc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)[nH]n1
InChIInChI=1S/C20H34N4O2/c1-19(2,3)17-12-16(21-22-17)13-23-9-4-7-20(14-23)8-6-18(26)24(15-20)10-5-11-25/h12,25H,4-11,13-15H2,1-3H3,(H,21,22)/t20-/m1/s1
InChIKeySNEOFERNPADTCM-HXUWFJFHSA-N
MW362.52 g/mol
LogP2.29
Rot. Bonds5

About (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96574332) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96574332
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name(6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)(C)c1cc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)[nH]n1
InChIInChI=1S/C20H34N4O2/c1-19(2,3)17-12-16(21-22-17)13-23-9-4-7-20(14-23)8-6-18(26)24(15-20)10-5-11-25/h12,25H,4-11,13-15H2,1-3H3,(H,21,22)/t20-/m1/s1
InChIKeySNEOFERNPADTCM-HXUWFJFHSA-N
XLogP2.29
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-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

(6R)-2-(3-hydroxypropyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580737
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
2-(3-hydroxypropyl)-8-[(2-methoxy-4-methylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70755739
8-[(5-ethylfuran-2-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70784758
2-(3-hydroxypropyl)-8-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72868026
(6S)-2-(3-hydroxypropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578434
(6R)-8-[(4-ethoxyphenyl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576588
(6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96571260
2-(2-hydroxyethyl)-8-[(2,4,6-trifluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70725584
8-[(3,4-dimethylphenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740150
(6S)-2-(3-hydroxypropyl)-8-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97041617

Frequently Asked Questions

What is the IUPAC name of (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96574332) is (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is CC(C)(C)c1cc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)[nH]n1.
What is the InChIKey of (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is SNEOFERNPADTCM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-19(2,3)17-12-16(21-22-17)13-23-9-4-7-20(14-23)8-6-18(26)24(15-20)10-5-11-25/h12,25H,4-11,13-15H2,1-3H3,(H,21,22)/t20-/m1/s1.
What are the key properties of (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.52 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96574332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).