2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide

C22H25N3O3 — CID 99816350

IUPAC2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c(C)o1
InChIInChI=1S/C22H25N3O3/c1-14-12-18(15(2)28-14)21(26)23-16-8-10-25(11-9-16)22(27)19-13-24(3)20-7-5-4-6-17(19)20/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,26)
InChIKeyVBTGWIYPVRXZJP-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.42
Rot. Bonds3

About 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide

2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide (PubChem CID 99816350) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
PubChem CID99816350
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c(C)o1
InChIInChI=1S/C22H25N3O3/c1-14-12-18(15(2)28-14)21(26)23-16-8-10-25(11-9-16)22(27)19-13-24(3)20-7-5-4-6-17(19)20/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,26)
InChIKeyVBTGWIYPVRXZJP-UHFFFAOYSA-N
XLogP3.42
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]acetamide
CID 126792582
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316682
N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide
CID 46448196
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 71879750
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide (CID 99816350) is 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide?
The InChIKey is VBTGWIYPVRXZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-12-18(15(2)28-14)21(26)23-16-8-10-25(11-9-16)22(27)19-13-24(3)20-7-5-4-6-17(19)20/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,26).
What are the key properties of 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide?
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 99816350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).