(6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H32N4O3 — CID 97118535

IUPAC(6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1
InChIInChI=1S/C20H32N4O3/c1-15-17(16(2)22(3)21-15)5-6-18(26)23-10-4-8-20(13-23)9-7-19(27)24(14-20)11-12-25/h25H,4-14H2,1-3H3/t20-/m1/s1
InChIKeyWGCKIWRMJXNZEB-HXUWFJFHSA-N
MW376.50 g/mol
LogP1.19
Rot. Bonds5

About (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97118535) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97118535
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name(6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1
InChIInChI=1S/C20H32N4O3/c1-15-17(16(2)22(3)21-15)5-6-18(26)23-10-4-8-20(13-23)9-7-19(27)24(14-20)11-12-25/h25H,4-14H2,1-3H3/t20-/m1/s1
InChIKeyWGCKIWRMJXNZEB-HXUWFJFHSA-N
XLogP1.19
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxyethyl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53150916
(3S*,4S*)-4-methyl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3,4-diol
CID 72837276
1-(4-Acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 34840010
1-(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71927852
2-(2-methoxyethyl)-9-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869207
3-{(3R*,4S*)-4-morpholin-4-yl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propan-1-ol
CID 72917284
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 103857313
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 107482398
1-ethyl-4-(3-{1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-4-piperidinyl}propanoyl)piperazine
CID 26321423
7-(cyclohexylmethyl)-2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 45188890
2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45199584
2-(1-adamantyl)-N-(2-hydroxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 46984903

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97118535) is (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1.
What is the InChIKey of (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is WGCKIWRMJXNZEB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15-17(16(2)22(3)21-15)5-6-18(26)23-10-4-8-20(13-23)9-7-19(27)24(14-20)11-12-25/h25H,4-14H2,1-3H3/t20-/m1/s1.
What are the key properties of (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.50 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(2-hydroxyethyl)-8-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97118535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).