4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

C24H35ClN4O3 — CID 143925495

IUPAC4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCC1CN(C(CO)CCN2CCC3(CC2)CC3)C(=O)CCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C24H35ClN4O3/c1-18-16-29(21(17-30)5-11-27-13-9-24(7-8-24)10-14-27)22(31)6-12-28(18)23(32)26-20-4-2-3-19(25)15-20/h2-4,15,18,21,30H,5-14,16-17H2,1H3,(H,26,32)
InChIKeyMLWKJMRTUZBVBT-UHFFFAOYSA-N
MW463.02 g/mol
LogP3.42
Rot. Bonds6

About 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 143925495) has the molecular formula C24H35ClN4O3 and a molecular weight of 463.02 g/mol. Its IUPAC name is 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID143925495
Molecular FormulaC24H35ClN4O3
Molecular Weight463.02 g/mol
Exact Mass462.24
IUPAC Name4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCC1CN(C(CO)CCN2CCC3(CC2)CC3)C(=O)CCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C24H35ClN4O3/c1-18-16-29(21(17-30)5-11-27-13-9-24(7-8-24)10-14-27)22(31)6-12-28(18)23(32)26-20-4-2-3-19(25)15-20/h2-4,15,18,21,30H,5-14,16-17H2,1H3,(H,26,32)
InChIKeyMLWKJMRTUZBVBT-UHFFFAOYSA-N
XLogP3.42
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.02
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

(2R)-N-(3-chlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 59149894
4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 143925494
N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 67080831
1-(3-chlorophenyl)-4-[1-hydroxy-4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)butan-2-yl]-1,4-diazepan-5-one
CID 75089816
lithium;2-[4-[(3-chlorophenyl)carbamoyl]-7-oxo-1,4-diazepan-1-yl]-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butanoic acid;hydride
CID 173044851
[(2S)-4-(6-azaspiro[2.5]octan-6-yl)-2-[(3S)-4-[(3,4-dichlorophenyl)carbamoyl]-3-methyl-2-oxopiperazin-1-yl]butyl] methyl carbonate
CID 143925489
(2S)-N-(3-chlorophenyl)-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 44612250
(2S)-N-(3-chlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 59149931
4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 42695544
(2S,3S,4S)-N-(3-chlorophenyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-4-ethyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 138990723
N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide
CID 76706498
(2S,3S,4S)-N-(3-chlorophenyl)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-ethyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 138990689

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (CID 143925495) is 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is CC1CN(C(CO)CCN2CCC3(CC2)CC3)C(=O)CCN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is MLWKJMRTUZBVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN4O3/c1-18-16-29(21(17-30)5-11-27-13-9-24(7-8-24)10-14-27)22(31)6-12-28(18)23(32)26-20-4-2-3-19(25)15-20/h2-4,15,18,21,30H,5-14,16-17H2,1H3,(H,26,32).
What are the key properties of 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 463.02 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 143925495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).