N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide

C21H29N3O3 — CID 110130879

IUPACN-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(=O)NC1CN(C(C)=O)C2(CCN(C(=O)CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H29N3O3/c1-16(25)22-19-14-21(24(15-19)17(2)26)10-12-23(13-11-21)20(27)9-8-18-6-4-3-5-7-18/h3-7,19H,8-15H2,1-2H3,(H,22,25)
InChIKeyFSRBHTOKVQXTHT-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.74
Rot. Bonds4

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

N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 110130879) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID110130879
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(=O)NC1CN(C(C)=O)C2(CCN(C(=O)CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H29N3O3/c1-16(25)22-19-14-21(24(15-19)17(2)26)10-12-23(13-11-21)20(27)9-8-18-6-4-3-5-7-18/h3-7,19H,8-15H2,1-2H3,(H,22,25)
InChIKeyFSRBHTOKVQXTHT-UHFFFAOYSA-N
XLogP1.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 84596884
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
(3R,4S)-3-hydroxy-1-(3-phenylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 135088400
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
3-methyl-1-[[1-(3-phenylpropanoyl)pyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122006185
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide (CID 110130879) is N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide is CC(=O)NC1CN(C(C)=O)C2(CCN(C(=O)CCc3ccccc3)CC2)C1.
What is the InChIKey of N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is FSRBHTOKVQXTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16(25)22-19-14-21(24(15-19)17(2)26)10-12-23(13-11-21)20(27)9-8-18-6-4-3-5-7-18/h3-7,19H,8-15H2,1-2H3,(H,22,25).
What are the key properties of N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 110130879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).