N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C22H30N2O3 — CID 108781833

IUPACN-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1ccc2c(c1C)OC1(CCN(C(=O)NC3CCCCC3)CC1)CC2=O
InChIInChI=1S/C22H30N2O3/c1-15-8-9-18-19(25)14-22(27-20(18)16(15)2)10-12-24(13-11-22)21(26)23-17-6-4-3-5-7-17/h8-9,17H,3-7,10-14H2,1-2H3,(H,23,26)
InChIKeyBHYLJNBBKGOHJA-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.15
Rot. Bonds1

About N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 108781833) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID108781833
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1ccc2c(c1C)OC1(CCN(C(=O)NC3CCCCC3)CC1)CC2=O
InChIInChI=1S/C22H30N2O3/c1-15-8-9-18-19(25)14-22(27-20(18)16(15)2)10-12-24(13-11-22)21(26)23-17-6-4-3-5-7-17/h8-9,17H,3-7,10-14H2,1-2H3,(H,23,26)
InChIKeyBHYLJNBBKGOHJA-UHFFFAOYSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341
1'-(2-chloroacetyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734821
1'-(3-chloropropanoyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758148
N-ethyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781837
2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108758078
N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide
CID 108758056
7,8-dimethyl-1'-(3-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734805
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734862
1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758122
N-cyclohexyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781778
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide
CID 42580970
1'-[4-(4-chlorophenoxy)butanoyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758144

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 108781833) is N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is Cc1ccc2c(c1C)OC1(CCN(C(=O)NC3CCCCC3)CC1)CC2=O.
What is the InChIKey of N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is BHYLJNBBKGOHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-15-8-9-18-19(25)14-22(27-20(18)16(15)2)10-12-24(13-11-22)21(26)23-17-6-4-3-5-7-17/h8-9,17H,3-7,10-14H2,1-2H3,(H,23,26).
What are the key properties of N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 108781833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).