N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide

C23H32N4O2 — CID 69170478

IUPACN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NCC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1)n1ccnc1
InChIInChI=1S/C23H32N4O2/c1-17(27-12-9-24-16-27)22(28)25-14-18-7-10-26(11-8-18)15-20-6-4-5-19-13-23(2,3)29-21(19)20/h4-6,9,12,16-18H,7-8,10-11,13-15H2,1-3H3,(H,25,28)
InChIKeyKBFPYGNCVXUFAS-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.19
Rot. Bonds6

About N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide

N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide (PubChem CID 69170478) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide
PubChem CID69170478
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NCC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1)n1ccnc1
InChIInChI=1S/C23H32N4O2/c1-17(27-12-9-24-16-27)22(28)25-14-18-7-10-26(11-8-18)15-20-6-4-5-19-13-23(2,3)29-21(19)20/h4-6,9,12,16-18H,7-8,10-11,13-15H2,1-3H3,(H,25,28)
InChIKeyKBFPYGNCVXUFAS-UHFFFAOYSA-N
XLogP3.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 143736405
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 25056648
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 25057950
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 69170940
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25057680
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 25054580
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylindole-2-carboxamide
CID 25056650
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
CID 64509728
(2Z,4E)-2-[[(E)-but-1-enyl]amino]-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-methylhexa-2,4-dienamide
CID 143736411
6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 25055332
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-1H-indole-2-carboxamide
CID 25055089

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide (CID 69170478) is N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide is CC(C(=O)NCC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1)n1ccnc1.
What is the InChIKey of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide?
The InChIKey is KBFPYGNCVXUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17(27-12-9-24-16-27)22(28)25-14-18-7-10-26(11-8-18)15-20-6-4-5-19-13-23(2,3)29-21(19)20/h4-6,9,12,16-18H,7-8,10-11,13-15H2,1-3H3,(H,25,28).
What are the key properties of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide?
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide has a molecular weight of 396.54 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 69170478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).