(2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide

C18H22N4O2 — CID 97228858

IUPAC(2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide
SMILESCc1ccc2c(c1)[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)CO2
InChIInChI=1S/C18H22N4O2/c1-12-5-6-16-13(10-12)14(11-24-16)21-18(23)22-9-3-2-4-15(22)17-19-7-8-20-17/h5-8,10,14-15H,2-4,9,11H2,1H3,(H,19,20)(H,21,23)/t14-,15-/m1/s1
InChIKeySMIXSQDOTARVOZ-HUUCEWRRSA-N
MW326.40 g/mol
LogP3.09
Rot. Bonds2

About (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide

(2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide (PubChem CID 97228858) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide
PubChem CID97228858
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide
SMILESCc1ccc2c(c1)[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)CO2
InChIInChI=1S/C18H22N4O2/c1-12-5-6-16-13(10-12)14(11-24-16)21-18(23)22-9-3-2-4-15(22)17-19-7-8-20-17/h5-8,10,14-15H,2-4,9,11H2,1H3,(H,19,20)(H,21,23)/t14-,15-/m1/s1
InChIKeySMIXSQDOTARVOZ-HUUCEWRRSA-N
XLogP3.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000
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CID 100900321
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(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide (CID 97228858) is (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide is Cc1ccc2c(c1)[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)CO2.
What is the InChIKey of (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide?
The InChIKey is SMIXSQDOTARVOZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-5-6-16-13(10-12)14(11-24-16)21-18(23)22-9-3-2-4-15(22)17-19-7-8-20-17/h5-8,10,14-15H,2-4,9,11H2,1H3,(H,19,20)(H,21,23)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide?
(2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97228858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).