1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide

C18H22N2O4 — CID 108805167

IUPAC1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2O1
InChIInChI=1S/C18H22N2O4/c1-18(2)10-14(21)13-9-12(3-4-15(13)24-18)17(23)20-7-5-11(6-8-20)16(19)22/h3-4,9,11H,5-8,10H2,1-2H3,(H2,19,22)
InChIKeyWRRPGFCCVVPFKZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.77
Rot. Bonds2

About 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide

1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide (PubChem CID 108805167) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide
PubChem CID108805167
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2O1
InChIInChI=1S/C18H22N2O4/c1-18(2)10-14(21)13-9-12(3-4-15(13)24-18)17(23)20-7-5-11(6-8-20)16(19)22/h3-4,9,11H,5-8,10H2,1-2H3,(H2,19,22)
InChIKeyWRRPGFCCVVPFKZ-UHFFFAOYSA-N
XLogP1.77
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-3H-chromen-4-one
CID 108729575
2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one
CID 108731884
6-(2-hydroxyacetyl)-2,2-dimethyl-3H-chromen-4-one
CID 163042609
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793143
[2-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-oxoethyl] acetate
CID 163005695
5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid
CID 108793250
1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
CID 61089682
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide
CID 110682939

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide (CID 108805167) is 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide is CC1(C)CC(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2O1.
What is the InChIKey of 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide?
The InChIKey is WRRPGFCCVVPFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-18(2)10-14(21)13-9-12(3-4-15(13)24-18)17(23)20-7-5-11(6-8-20)16(19)22/h3-4,9,11H,5-8,10H2,1-2H3,(H2,19,22).
What are the key properties of 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide?
1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 108805167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).