4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide (PubChem CID 110163692) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide.

Molecular Properties

Compound Name	4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide
PubChem CID	110163692
Molecular Formula	C20H29N5O4
Molecular Weight	403.48 g/mol
Exact Mass	403.22
IUPAC Name	4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide
SMILES	Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)[C@H]1O
InChI	InChI=1S/C20H29N5O4/c1-13-21-10-12-24(13)15-7-6-14(17(15)27)22-16(26)5-4-11-25-18(28)20(23-19(25)29)8-2-3-9-20/h10,12,14-15,17,27H,2-9,11H2,1H3,(H,22,26)(H,23,29)/t14-,15-,17-/m1/s1
InChIKey	KYZFLKIYMSDLKO-BFYDXBDKSA-N
XLogP	1.02
TPSA	116.56 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide?

The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide (CID 110163692) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide.

What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide?

The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide is Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)[C@H]1O.

What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide?

The InChIKey is KYZFLKIYMSDLKO-BFYDXBDKSA-N. The full InChI is InChI=1S/C20H29N5O4/c1-13-21-10-12-24(13)15-7-6-14(17(15)27)22-16(26)5-4-11-25-18(28)20(23-19(25)29)8-2-3-9-20/h10,12,14-15,17,27H,2-9,11H2,1H3,(H,22,26)(H,23,29)/t14-,15-,17-/m1/s1.

What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide?

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide has a molecular weight of 403.48 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]butanamide is sourced from PubChem (CID 110163692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).