6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C17H19N3O3 — CID 100760519

IUPAC6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1O2
InChIInChI=1S/C17H19N3O3/c1-19(2)16(22)20-7-5-17(6-8-20)10-14(21)13-9-12(11-18)3-4-15(13)23-17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyZSXYBBSQYKERDM-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.04
Rot. Bonds

About 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 100760519) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID100760519
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1O2
InChIInChI=1S/C17H19N3O3/c1-19(2)16(22)20-7-5-17(6-8-20)10-14(21)13-9-12(11-18)3-4-15(13)23-17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyZSXYBBSQYKERDM-UHFFFAOYSA-N
XLogP2.04
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760238
1'-benzylsulfonyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carbonitrile
CID 100760559
[3-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-methoxy-1-benzothiophen-2-yl]carbamic acid
CID 68665025
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea
CID 59311910
4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
CID 69076469
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 126468398

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 100760519) is 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is CN(C)C(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1O2.
What is the InChIKey of 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is ZSXYBBSQYKERDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19(2)16(22)20-7-5-17(6-8-20)10-14(21)13-9-12(11-18)3-4-15(13)23-17/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 100760519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).