N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C23H25N3O4 — CID 55527885

IUPACN-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCC1(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C23H25N3O4/c1-23(14-16-7-3-4-8-17(16)21(28)30-23)22(29)25-18-13-15(20(24)27)9-10-19(18)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H2,24,27)(H,25,29)
InChIKeyGWKCPFBYCBVBIX-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.89
Rot. Bonds4

About N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide

N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 55527885) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID55527885
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCC1(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C23H25N3O4/c1-23(14-16-7-3-4-8-17(16)21(28)30-23)22(29)25-18-13-15(20(24)27)9-10-19(18)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H2,24,27)(H,25,29)
InChIKeyGWKCPFBYCBVBIX-UHFFFAOYSA-N
XLogP2.89
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 43024499
(3R)-N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 829970
(3R)-N-(2,5-dimethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 938867
(3S)-N-(2-ethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 944283
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 24675991
3-[[2,3-dihydro-1H-inden-1-yl(methyl)carbamoyl]amino]-4-piperidin-1-ylbenzamide
CID 47818397
3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide
CID 24675990
3-methyl-N-(2-nitrophenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 4905308
3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614233
3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41479452
3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47818113

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 55527885) is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is CC1(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)Cc2ccccc2C(=O)O1.
What is the InChIKey of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is GWKCPFBYCBVBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-23(14-16-7-3-4-8-17(16)21(28)30-23)22(29)25-18-13-15(20(24)27)9-10-19(18)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H2,24,27)(H,25,29).
What are the key properties of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 55527885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).