N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide

C23H30ClN5O2 — CID 153094059

IUPACN-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(CC(=O)N2CCC3(CCCN3Cc3ccc(C)c(Cl)c3)CC2)n1
InChIInChI=1S/C23H30ClN5O2/c1-17-4-5-19(14-20(17)24)15-28-10-3-7-23(28)8-12-27(13-9-23)22(31)16-29-11-6-21(26-29)25-18(2)30/h4-6,11,14H,3,7-10,12-13,15-16H2,1-2H3,(H,25,26,30)
InChIKeyVPTATVRXYLJSJQ-UHFFFAOYSA-N
MW443.98 g/mol
LogP3.46
Rot. Bonds5

About N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide

N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide (PubChem CID 153094059) has the molecular formula C23H30ClN5O2 and a molecular weight of 443.98 g/mol. Its IUPAC name is N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide
PubChem CID153094059
Molecular FormulaC23H30ClN5O2
Molecular Weight443.98 g/mol
Exact Mass443.21
IUPAC NameN-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(CC(=O)N2CCC3(CCCN3Cc3ccc(C)c(Cl)c3)CC2)n1
InChIInChI=1S/C23H30ClN5O2/c1-17-4-5-19(14-20(17)24)15-28-10-3-7-23(28)8-12-27(13-9-23)22(31)16-29-11-6-21(26-29)25-18(2)30/h4-6,11,14H,3,7-10,12-13,15-16H2,1-2H3,(H,25,26,30)
InChIKeyVPTATVRXYLJSJQ-UHFFFAOYSA-N
XLogP3.46
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methylbenzamide
CID 157386313
[1-[(3,4-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 159036793
1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 145315822
2-methyl-4-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzamide
CID 158375949
N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
CID 135332075
N-[1-[1-[[3-(5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-5-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide;ethane
CID 145315733
N-[1-[1-[[2-(4-acetylpiperazin-1-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide;ethane
CID 145315802
N-[1-[1-[(3-chlorophenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 139413351
4-[2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-5-chlorophenoxy]butanoic acid
CID 142483208
N-[1-[1-[[2-(4-acetylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
CID 135332146
4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 138994791
[1-[[3-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 160526466

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide (CID 153094059) is N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(CC(=O)N2CCC3(CCCN3Cc3ccc(C)c(Cl)c3)CC2)n1.
What is the InChIKey of N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide?
The InChIKey is VPTATVRXYLJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O2/c1-17-4-5-19(14-20(17)24)15-28-10-3-7-23(28)8-12-27(13-9-23)22(31)16-29-11-6-21(26-29)25-18(2)30/h4-6,11,14H,3,7-10,12-13,15-16H2,1-2H3,(H,25,26,30).
What are the key properties of N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide?
N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide has a molecular weight of 443.98 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 153094059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).