N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide

C26H33N3O3 — CID 72705785

IUPACN-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C3COc4ccccc43)c2)CC1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)28-24(30)19-11-13-29(14-12-19)16-18-7-6-8-20(15-18)27-25(31)22-17-32-23-10-5-4-9-21(22)23/h4-10,15,19,22H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyBEFFRMBGYHPHKZ-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.93
Rot. Bonds5

About N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide

N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 72705785) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
PubChem CID72705785
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C3COc4ccccc43)c2)CC1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)28-24(30)19-11-13-29(14-12-19)16-18-7-6-8-20(15-18)27-25(31)22-17-32-23-10-5-4-9-21(22)23/h4-10,15,19,22H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyBEFFRMBGYHPHKZ-UHFFFAOYSA-N
XLogP3.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
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1-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]piperidine-4-carboxylic acid
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N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
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N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide (CID 72705785) is N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C3COc4ccccc43)c2)CC1.
What is the InChIKey of N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is BEFFRMBGYHPHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-26(2,3)28-24(30)19-11-13-29(14-12-19)16-18-7-6-8-20(15-18)27-25(31)22-17-32-23-10-5-4-9-21(22)23/h4-10,15,19,22H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72705785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).