3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide

C14H18N4O3 — CID 71827835

IUPAC3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)CC2(CCCC2)C1=O)Nc1ncc[nH]1
InChIInChI=1S/C14H18N4O3/c19-10(17-13-15-6-7-16-13)3-8-18-11(20)9-14(12(18)21)4-1-2-5-14/h6-7H,1-5,8-9H2,(H2,15,16,17,19)
InChIKeyOJXXANXAZSRZAV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.06
Rot. Bonds4

About 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide

3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide (PubChem CID 71827835) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide
PubChem CID71827835
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)CC2(CCCC2)C1=O)Nc1ncc[nH]1
InChIInChI=1S/C14H18N4O3/c19-10(17-13-15-6-7-16-13)3-8-18-11(20)9-14(12(18)21)4-1-2-5-14/h6-7H,1-5,8-9H2,(H2,15,16,17,19)
InChIKeyOJXXANXAZSRZAV-UHFFFAOYSA-N
XLogP1.06
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[3-(1H-imidazol-2-yl)propyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide
CID 124756904
[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126832130
7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45228294
1-cyclopentyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50969594
4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 67168538
1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367469
1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide
CID 68973918
N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide
CID 89497353
N-hexadecyl-1-[3-(1H-imidazol-2-ylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 117907052
2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide
CID 4205421
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide?
The IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide (CID 71827835) is 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide is O=C(CCN1C(=O)CC2(CCCC2)C1=O)Nc1ncc[nH]1.
What is the InChIKey of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide?
The InChIKey is OJXXANXAZSRZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c19-10(17-13-15-6-7-16-13)3-8-18-11(20)9-14(12(18)21)4-1-2-5-14/h6-7H,1-5,8-9H2,(H2,15,16,17,19).
What are the key properties of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide?
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide has a molecular weight of 290.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 71827835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).