N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide

C23H27N3O2 — CID 110130360

IUPACN-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(=O)NC1CNC2(CCN(C(=O)c3ccccc3-c3ccccc3)CC2)C1
InChIInChI=1S/C23H27N3O2/c1-17(27)25-19-15-23(24-16-19)11-13-26(14-12-23)22(28)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-10,19,24H,11-16H2,1H3,(H,25,27)
InChIKeyNALUVFCXAPJDGX-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.83
Rot. Bonds3

About N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide

N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 110130360) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID110130360
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(=O)NC1CNC2(CCN(C(=O)c3ccccc3-c3ccccc3)CC2)C1
InChIInChI=1S/C23H27N3O2/c1-17(27)25-19-15-23(24-16-19)11-13-26(14-12-23)22(28)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-10,19,24H,11-16H2,1H3,(H,25,27)
InChIKeyNALUVFCXAPJDGX-UHFFFAOYSA-N
XLogP2.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
(4aS,8aS)-1-methyl-7-(2-phenylbenzoyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135119512
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone
CID 25371442
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 135120241
(2-phenylphenyl)-pyrrol-1-ylmethanone
CID 166440403
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 17234149
(3S)-1-methyl-3-[1-(2-phenylbenzoyl)piperidin-4-yl]azepan-2-one
CID 95832150
[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
CID 67116353

Frequently Asked Questions

What is the IUPAC name of N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide (CID 110130360) is N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide is CC(=O)NC1CNC2(CCN(C(=O)c3ccccc3-c3ccccc3)CC2)C1.
What is the InChIKey of N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is NALUVFCXAPJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(27)25-19-15-23(24-16-19)11-13-26(14-12-23)22(28)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-10,19,24H,11-16H2,1H3,(H,25,27).
What are the key properties of N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-phenylbenzoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 110130360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).