2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H27ClN4O3 — CID 47529765

IUPAC2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1CCCC1Cc1ccccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C21H27ClN4O3/c22-17-9-3-2-7-15(17)13-16-8-6-12-25(16)14-18(27)24-26-19(28)21(23-20(26)29)10-4-1-5-11-21/h2-3,7,9,16H,1,4-6,8,10-14H2,(H,23,29)(H,24,27)
InChIKeyFCRSSKGYWWOVIP-UHFFFAOYSA-N
MW418.93 g/mol
LogP2.63
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 47529765) has the molecular formula C21H27ClN4O3 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID47529765
Molecular FormulaC21H27ClN4O3
Molecular Weight418.93 g/mol
Exact Mass418.18
IUPAC Name2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1CCCC1Cc1ccccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C21H27ClN4O3/c22-17-9-3-2-7-15(17)13-16-8-6-12-25(16)14-18(27)24-26-19(28)21(23-20(26)29)10-4-1-5-11-21/h2-3,7,9,16H,1,4-6,8,10-14H2,(H,23,29)(H,24,27)
InChIKeyFCRSSKGYWWOVIP-UHFFFAOYSA-N
XLogP2.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 52.63
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-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 47529832
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036
4-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564416
4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564415
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 46614028
N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
CID 55850667
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8598366
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 37385902
1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134484
2-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 98786584
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 47529765) is 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1CCCC1Cc1ccccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is FCRSSKGYWWOVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O3/c22-17-9-3-2-7-15(17)13-16-8-6-12-25(16)14-18(27)24-26-19(28)21(23-20(26)29)10-4-1-5-11-21/h2-3,7,9,16H,1,4-6,8,10-14H2,(H,23,29)(H,24,27).
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 418.93 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 47529765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).