N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide

C24H38N4O3 — CID 26274659

IUPACN-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide
SMILESCCCc1cc(C(=O)N2CCC3(CC[C@@H](CNC(=O)C4CCCCC4)O3)CC2)n(C)n1
InChIInChI=1S/C24H38N4O3/c1-3-7-19-16-21(27(2)26-19)23(30)28-14-12-24(13-15-28)11-10-20(31-24)17-25-22(29)18-8-5-4-6-9-18/h16,18,20H,3-15,17H2,1-2H3,(H,25,29)/t20-/m0/s1
InChIKeyYKRMQYSRDCZAPR-FQEVSTJZSA-N
MW430.59 g/mol
LogP3.22
Rot. Bonds6

About N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide

N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 26274659) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide
PubChem CID26274659
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC NameN-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide
SMILESCCCc1cc(C(=O)N2CCC3(CC[C@@H](CNC(=O)C4CCCCC4)O3)CC2)n(C)n1
InChIInChI=1S/C24H38N4O3/c1-3-7-19-16-21(27(2)26-19)23(30)28-14-12-24(13-15-28)11-10-20(31-24)17-25-22(29)18-8-5-4-6-9-18/h16,18,20H,3-15,17H2,1-2H3,(H,25,29)/t20-/m0/s1
InChIKeyYKRMQYSRDCZAPR-FQEVSTJZSA-N
XLogP3.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide (CID 26274659) is N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide is CCCc1cc(C(=O)N2CCC3(CC[C@@H](CNC(=O)C4CCCCC4)O3)CC2)n(C)n1.
What is the InChIKey of N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is YKRMQYSRDCZAPR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-3-7-19-16-21(27(2)26-19)23(30)28-14-12-24(13-15-28)11-10-20(31-24)17-25-22(29)18-8-5-4-6-9-18/h16,18,20H,3-15,17H2,1-2H3,(H,25,29)/t20-/m0/s1.
What are the key properties of N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide?
N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 430.59 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 26274659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).