4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one

C16H27N3O3 — CID 67074051

IUPAC4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one
SMILESO=C1CCNCCN1CCCC(=O)N1CCC2(CC2)C(O)C1
InChIInChI=1S/C16H27N3O3/c20-13-12-19(10-6-16(13)4-5-16)14(21)2-1-9-18-11-8-17-7-3-15(18)22/h13,17,20H,1-12H2
InChIKeyXTUZYUOVMCIDRP-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.04
Rot. Bonds4

About 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one

4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one (PubChem CID 67074051) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one
PubChem CID67074051
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one
SMILESO=C1CCNCCN1CCCC(=O)N1CCC2(CC2)C(O)C1
InChIInChI=1S/C16H27N3O3/c20-13-12-19(10-6-16(13)4-5-16)14(21)2-1-9-18-11-8-17-7-3-15(18)22/h13,17,20H,1-12H2
InChIKeyXTUZYUOVMCIDRP-UHFFFAOYSA-N
XLogP-0.04
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[4-[(3S)-3-hydroxy-4,4-dimethylpiperidin-1-yl]-4-oxobutyl]-3-methylpiperazin-2-one
CID 67074453
(2S)-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 52913245
(2S)-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 58232205
1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one
CID 156603888
1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one
CID 133131299
1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 74251567
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
CID 56702528
(3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one
CID 67093366
1-[4-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-4-oxobutyl]piperidin-2-one
CID 95724682
benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 67074379
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
N-(3,4-dichlorocyclohexa-1,5-dien-1-yl)-4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 91481600

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one?
The IUPAC name of 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one (CID 67074051) is 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one.
What is the SMILES notation for 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one?
The canonical SMILES for 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one is O=C1CCNCCN1CCCC(=O)N1CCC2(CC2)C(O)C1.
What is the InChIKey of 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one?
The InChIKey is XTUZYUOVMCIDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c20-13-12-19(10-6-16(13)4-5-16)14(21)2-1-9-18-11-8-17-7-3-15(18)22/h13,17,20H,1-12H2.
What are the key properties of 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one?
4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one has a molecular weight of 309.41 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one is sourced from PubChem (CID 67074051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).