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

C23H32N4O3 — CID 17413624

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C23H32N4O3/c1-25(17-18-9-3-4-10-19(18)26-14-7-2-8-15-26)20(28)11-16-27-21(29)23(24-22(27)30)12-5-6-13-23/h3-4,9-10H,2,5-8,11-17H2,1H3,(H,24,30)
InChIKeySOKMOZKIPFROAG-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.89
Rot. Bonds6

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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 17413624) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID17413624
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C23H32N4O3/c1-25(17-18-9-3-4-10-19(18)26-14-7-2-8-15-26)20(28)11-16-27-21(29)23(24-22(27)30)12-5-6-13-23/h3-4,9-10H,2,5-8,11-17H2,1H3,(H,24,30)
InChIKeySOKMOZKIPFROAG-UHFFFAOYSA-N
XLogP2.89
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 24551664
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide
CID 26663131
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 25354920
1-hydroxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907044
N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 41023343
3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 52669946
N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 55415811
N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide
CID 30750351
N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 34578471
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-ylpropanamide
CID 30100026
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9476594
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide (CID 17413624) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCCCC1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is SOKMOZKIPFROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-25(17-18-9-3-4-10-19(18)26-14-7-2-8-15-26)20(28)11-16-27-21(29)23(24-22(27)30)12-5-6-13-23/h3-4,9-10H,2,5-8,11-17H2,1H3,(H,24,30).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 412.53 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 17413624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).