(6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C16H26N4O3 — CID 124751305

IUPAC(6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(CCn3cc[nH]c3=O)C2)CN1CCO
InChIInChI=1S/C16H26N4O3/c21-11-10-20-13-16(4-2-14(20)22)3-1-6-18(12-16)8-9-19-7-5-17-15(19)23/h5,7,21H,1-4,6,8-13H2,(H,17,23)/t16-/m1/s1
InChIKeyGEFAQROICARXOS-MRXNPFEDSA-N
MW322.41 g/mol
LogP-0.13
Rot. Bonds5

About (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 124751305) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID124751305
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(CCn3cc[nH]c3=O)C2)CN1CCO
InChIInChI=1S/C16H26N4O3/c21-11-10-20-13-16(4-2-14(20)22)3-1-6-18(12-16)8-9-19-7-5-17-15(19)23/h5,7,21H,1-4,6,8-13H2,(H,17,23)/t16-/m1/s1
InChIKeyGEFAQROICARXOS-MRXNPFEDSA-N
XLogP-0.13
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70741090
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
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725865
N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 124752032
(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
(6S)-2-(3-hydroxypropyl)-8-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97041617
(6S)-2-(3-hydroxypropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578434
2-(2-hydroxyethyl)-8-(1H-1,2,4-triazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72895472

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 124751305) is (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(CCn3cc[nH]c3=O)C2)CN1CCO.
What is the InChIKey of (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GEFAQROICARXOS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N4O3/c21-11-10-20-13-16(4-2-14(20)22)3-1-6-18(12-16)8-9-19-7-5-17-15(19)23/h5,7,21H,1-4,6,8-13H2,(H,17,23)/t16-/m1/s1.
What are the key properties of (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 322.41 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 124751305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).