1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide

C17H21N3O3 — CID 154757217

IUPAC1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
SMILESCc1oc2ccc(NC(=O)N3CCCC(C(N)=O)C3)cc2c1C
InChIInChI=1S/C17H21N3O3/c1-10-11(2)23-15-6-5-13(8-14(10)15)19-17(22)20-7-3-4-12(9-20)16(18)21/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyICYXJQINIYWGAP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.78
Rot. Bonds2

About 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide

1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide (PubChem CID 154757217) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
PubChem CID154757217
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
SMILESCc1oc2ccc(NC(=O)N3CCCC(C(N)=O)C3)cc2c1C
InChIInChI=1S/C17H21N3O3/c1-10-11(2)23-15-6-5-13(8-14(10)15)19-17(22)20-7-3-4-12(9-20)16(18)21/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyICYXJQINIYWGAP-UHFFFAOYSA-N
XLogP2.78
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154875961
2-[[4-[(2,3-dimethyl-1-benzofuran-5-yl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122090249
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203
N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide
CID 24896972
(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
CID 97274473
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide
CID 129359179
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide (CID 154757217) is 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide is Cc1oc2ccc(NC(=O)N3CCCC(C(N)=O)C3)cc2c1C.
What is the InChIKey of 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide?
The InChIKey is ICYXJQINIYWGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-11(2)23-15-6-5-13(8-14(10)15)19-17(22)20-7-3-4-12(9-20)16(18)21/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide?
1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 154757217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).