4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide

C22H31ClN4O2 — CID 143925494

IUPAC4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)N(CCCN2CCC3(CC2)CC3)CCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H31ClN4O2/c1-17-20(28)26(11-3-10-25-12-8-22(6-7-22)9-13-25)14-15-27(17)21(29)24-19-5-2-4-18(23)16-19/h2,4-5,16-17H,3,6-15H2,1H3,(H,24,29)
InChIKeyQWKPDUWMZFGDIJ-UHFFFAOYSA-N
MW418.97 g/mol
LogP3.67
Rot. Bonds5

About 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide

4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 143925494) has the molecular formula C22H31ClN4O2 and a molecular weight of 418.97 g/mol. Its IUPAC name is 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID143925494
Molecular FormulaC22H31ClN4O2
Molecular Weight418.97 g/mol
Exact Mass418.21
IUPAC Name4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)N(CCCN2CCC3(CC2)CC3)CCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H31ClN4O2/c1-17-20(28)26(11-3-10-25-12-8-22(6-7-22)9-13-25)14-15-27(17)21(29)24-19-5-2-4-18(23)16-19/h2,4-5,16-17H,3,6-15H2,1H3,(H,24,29)
InChIKeyQWKPDUWMZFGDIJ-UHFFFAOYSA-N
XLogP3.67
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide with MolForge

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Related Compounds

(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
(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-(3,4-dichlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 44612134
(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
(2S)-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl]-2-methyl-3-oxo-N-(3-pyridin-4-ylphenyl)piperazine-1-carboxamide
CID 59149888
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
[(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
(2R)-N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93322041
(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114804
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
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46036574

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide (CID 143925494) is 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide is CC1C(=O)N(CCCN2CCC3(CC2)CC3)CCN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is QWKPDUWMZFGDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4O2/c1-17-20(28)26(11-3-10-25-12-8-22(6-7-22)9-13-25)14-15-27(17)21(29)24-19-5-2-4-18(23)16-19/h2,4-5,16-17H,3,6-15H2,1H3,(H,24,29).
What are the key properties of 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 418.97 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 143925494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).