N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen

C19H28N2O2 — CID 176934009

IUPACN,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen
SMILESCC(C)c1cc(C2CCNCC2)c2oc(C(=O)N(C)C)cc2c1.[H][H]
InChIInChI=1S/C19H26N2O2.H2/c1-12(2)14-9-15-11-17(19(22)21(3)4)23-18(15)16(10-14)13-5-7-20-8-6-13;/h9-13,20H,5-8H2,1-4H3;1H
InChIKeyPEDZPGSWIHUKQI-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.97
Rot. Bonds3

About N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen

N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen (PubChem CID 176934009) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen
PubChem CID176934009
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen
SMILESCC(C)c1cc(C2CCNCC2)c2oc(C(=O)N(C)C)cc2c1.[H][H]
InChIInChI=1S/C19H26N2O2.H2/c1-12(2)14-9-15-11-17(19(22)21(3)4)23-18(15)16(10-14)13-5-7-20-8-6-13;/h9-13,20H,5-8H2,1-4H3;1H
InChIKeyPEDZPGSWIHUKQI-UHFFFAOYSA-N
XLogP3.97
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen?
The IUPAC name of N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen (CID 176934009) is N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen?
The canonical SMILES for N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen is CC(C)c1cc(C2CCNCC2)c2oc(C(=O)N(C)C)cc2c1.[H][H].
What is the InChIKey of N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen?
The InChIKey is PEDZPGSWIHUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.H2/c1-12(2)14-9-15-11-17(19(22)21(3)4)23-18(15)16(10-14)13-5-7-20-8-6-13;/h9-13,20H,5-8H2,1-4H3;1H.
What are the key properties of N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen?
N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen has a molecular weight of 316.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-piperidin-4-yl-5-propan-2-yl-1-benzofuran-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 176934009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).