N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide

C21H25N3O3 — CID 138057318

IUPACN-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CCN(C(=O)c3ccc4c(c3)CCN4)CC2)o1
InChIInChI=1S/C21H25N3O3/c1-13-11-14(2)27-19(13)20(25)23-17-6-9-24(10-7-17)21(26)16-3-4-18-15(12-16)5-8-22-18/h3-4,11-12,17,22H,5-10H2,1-2H3,(H,23,25)
InChIKeyHTPYJIPJRHUUGS-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.90
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide

N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 138057318) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide
PubChem CID138057318
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CCN(C(=O)c3ccc4c(c3)CCN4)CC2)o1
InChIInChI=1S/C21H25N3O3/c1-13-11-14(2)27-19(13)20(25)23-17-6-9-24(10-7-17)21(26)16-3-4-18-15(12-16)5-8-22-18/h3-4,11-12,17,22H,5-10H2,1-2H3,(H,23,25)
InChIKeyHTPYJIPJRHUUGS-UHFFFAOYSA-N
XLogP2.90
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
CID 60893291
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572
N-(4-ethylcyclohexyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61470340
(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560716
2,3-dihydro-1H-indol-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63166948
N-(oxolan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 80712536
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040
3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313359
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325398

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide (CID 138057318) is N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3ccc4c(c3)CCN4)CC2)o1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide?
The InChIKey is HTPYJIPJRHUUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-11-14(2)27-19(13)20(25)23-17-6-9-24(10-7-17)21(26)16-3-4-18-15(12-16)5-8-22-18/h3-4,11-12,17,22H,5-10H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide?
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 138057318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).