N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C24H34N4O3 — CID 52500436

IUPACN-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESC[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)C1
InChIInChI=1S/C24H34N4O3/c1-17-11-18(2)14-27(13-17)15-20-7-5-19(6-8-20)12-25-21(29)16-28-22(30)24(26-23(28)31)9-3-4-10-24/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,25,29)(H,26,31)/t17-,18-/m1/s1
InChIKeyOPWQAKZKBOBBKO-QZTJIDSGSA-N
MW426.56 g/mol
LogP2.65
Rot. Bonds6

About N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 52500436) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID52500436
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESC[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)C1
InChIInChI=1S/C24H34N4O3/c1-17-11-18(2)14-27(13-17)15-20-7-5-19(6-8-20)12-25-21(29)16-28-22(30)24(26-23(28)31)9-3-4-10-24/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,25,29)(H,26,31)/t17-,18-/m1/s1
InChIKeyOPWQAKZKBOBBKO-QZTJIDSGSA-N
XLogP2.65
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 146124165
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 25403784
N-[[4-(methoxymethyl)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55614965
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4212120
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55698077
2-cyclopentyloxy-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 60515116
N-[2-(4-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578262
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638303
4-[[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzoic acid
CID 119346035
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 60516106

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 52500436) is N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)C1.
What is the InChIKey of N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is OPWQAKZKBOBBKO-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-17-11-18(2)14-27(13-17)15-20-7-5-19(6-8-20)12-25-21(29)16-28-22(30)24(26-23(28)31)9-3-4-10-24/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,25,29)(H,26,31)/t17-,18-/m1/s1.
What are the key properties of N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 426.56 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 52500436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).