8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C16H24N4O3 — CID 72863911

IUPAC8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)CCCn3ccnc3)CC2)CN1
InChIInChI=1S/C16H24N4O3/c21-14(2-1-6-19-9-5-17-12-19)20-7-3-16(4-8-20)10-13(15(22)23)18-11-16/h5,9,12-13,18H,1-4,6-8,10-11H2,(H,22,23)
InChIKeyDLHXLHDPJHVOLH-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.72
Rot. Bonds5

About 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72863911) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72863911
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)CCCn3ccnc3)CC2)CN1
InChIInChI=1S/C16H24N4O3/c21-14(2-1-6-19-9-5-17-12-19)20-7-3-16(4-8-20)10-13(15(22)23)18-11-16/h5,9,12-13,18H,1-4,6-8,10-11H2,(H,22,23)
InChIKeyDLHXLHDPJHVOLH-UHFFFAOYSA-N
XLogP0.72
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97150471
8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72917920
(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97145994
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 63125262
4-imidazol-1-yl-1-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)butan-1-one
CID 118761204
1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125704
1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one
CID 137387173
(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97125136
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72918461
7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72918966

Frequently Asked Questions

What is the IUPAC name of 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72863911) is 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCN(C(=O)CCCn3ccnc3)CC2)CN1.
What is the InChIKey of 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is DLHXLHDPJHVOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-14(2-1-6-19-9-5-17-12-19)20-7-3-16(4-8-20)10-13(15(22)23)18-11-16/h5,9,12-13,18H,1-4,6-8,10-11H2,(H,22,23).
What are the key properties of 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72863911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).