5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C16H23ClN2O2 — CID 119429289

IUPAC5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1cc2c(cc1C)OC(C(=O)NC1CCCNC1)C2.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-10-6-12-8-15(20-14(12)7-11(10)2)16(19)18-13-4-3-5-17-9-13;/h6-7,13,15,17H,3-5,8-9H2,1-2H3,(H,18,19);1H
InChIKeyMTLQUOJYOOSYCG-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.90
Rot. Bonds2

About 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119429289) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119429289
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1cc2c(cc1C)OC(C(=O)NC1CCCNC1)C2.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-10-6-12-8-15(20-14(12)7-11(10)2)16(19)18-13-4-3-5-17-9-13;/h6-7,13,15,17H,3-5,8-9H2,1-2H3,(H,18,19);1H
InChIKeyMTLQUOJYOOSYCG-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120645055
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119474149
N-piperidin-3-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 112531038
6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 119427135
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 94471135
N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120553307
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426358
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
2,2-dimethyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 107181064

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 119429289) is 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is Cc1cc2c(cc1C)OC(C(=O)NC1CCCNC1)C2.Cl.
What is the InChIKey of 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is MTLQUOJYOOSYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-10-6-12-8-15(20-14(12)7-11(10)2)16(19)18-13-4-3-5-17-9-13;/h6-7,13,15,17H,3-5,8-9H2,1-2H3,(H,18,19);1H.
What are the key properties of 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119429289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).