N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

C26H33F3N6O3 — CID 135332075

IUPACN-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C(F)(F)F)c(N4CCOCC4)c3)CC2)n1
InChIInChI=1S/C26H33F3N6O3/c1-19(36)30-23-5-10-35(31-23)24(37)33-11-7-25(8-12-33)6-2-9-34(25)18-20-3-4-21(26(27,28)29)22(17-20)32-13-15-38-16-14-32/h3-5,10,17H,2,6-9,11-16,18H2,1H3,(H,30,31,36)
InChIKeyLBHVEABCHHUBHJ-UHFFFAOYSA-N
MW534.58 g/mol
LogP3.80
Rot. Bonds4

About N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (PubChem CID 135332075) has the molecular formula C26H33F3N6O3 and a molecular weight of 534.58 g/mol. Its IUPAC name is N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
PubChem CID135332075
Molecular FormulaC26H33F3N6O3
Molecular Weight534.58 g/mol
Exact Mass534.26
IUPAC NameN-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C(F)(F)F)c(N4CCOCC4)c3)CC2)n1
InChIInChI=1S/C26H33F3N6O3/c1-19(36)30-23-5-10-35(31-23)24(37)33-11-7-25(8-12-33)6-2-9-34(25)18-20-3-4-21(26(27,28)29)22(17-20)32-13-15-38-16-14-32/h3-5,10,17H,2,6-9,11-16,18H2,1H3,(H,30,31,36)
InChIKeyLBHVEABCHHUBHJ-UHFFFAOYSA-N
XLogP3.80
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The IUPAC name of 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) is N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C(F)(F)F)c(N4CCOCC4)c3)CC2)n1.
What is the InChIKey of N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The InChIKey is LBHVEABCHHUBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O3/c1-19(36)30-23-5-10-35(31-23)24(37)33-11-7-25(8-12-33)6-2-9-34(25)18-20-3-4-21(26(27,28)29)22(17-20)32-13-15-38-16-14-32/h3-5,10,17H,2,6-9,11-16,18H2,1H3,(H,30,31,36).
What are the key properties of N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide has a molecular weight of 534.58 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 135332075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).