(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide

C21H28N4O3 — CID 9329114

IUPAC(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H28N4O3/c1-15(25-19(27)21(23-20(25)28)11-3-4-12-21)18(26)22-16-7-9-17(10-8-16)24-13-5-2-6-14-24/h7-10,15H,2-6,11-14H2,1H3,(H,22,26)(H,23,28)/t15-/m0/s1
InChIKeyYSNUPRJZARWXQA-HNNXBMFYSA-N
MW384.48 g/mol
LogP2.87
Rot. Bonds4

About (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide

(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 9329114) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID9329114
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H28N4O3/c1-15(25-19(27)21(23-20(25)28)11-3-4-12-21)18(26)22-16-7-9-17(10-8-16)24-13-5-2-6-14-24/h7-10,15H,2-6,11-14H2,1H3,(H,22,26)(H,23,28)/t15-/m0/s1
InChIKeyYSNUPRJZARWXQA-HNNXBMFYSA-N
XLogP2.87
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52513400
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 129419276
(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
CID 2373539
(2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
CID 2428270
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55308746
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
(2R)-2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9295432
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 18151188
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 41144250
(2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9329126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide (CID 9329114) is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide is C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is YSNUPRJZARWXQA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(25-19(27)21(23-20(25)28)11-3-4-12-21)18(26)22-16-7-9-17(10-8-16)24-13-5-2-6-14-24/h7-10,15H,2-6,11-14H2,1H3,(H,22,26)(H,23,28)/t15-/m0/s1.
What are the key properties of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 9329114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).