2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide

C19H22N4O2 — CID 93237874

IUPAC2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@H](c2nc3ccccc3[nH]2)C1)NCc1ccco1
InChIInChI=1S/C19H22N4O2/c24-18(20-11-15-6-4-10-25-15)13-23-9-3-5-14(12-23)19-21-16-7-1-2-8-17(16)22-19/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyJKACSIGFKAFVEH-AWEZNQCLSA-N
MW338.41 g/mol
LogP2.65
Rot. Bonds5

About 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 93237874) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID93237874
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@H](c2nc3ccccc3[nH]2)C1)NCc1ccco1
InChIInChI=1S/C19H22N4O2/c24-18(20-11-15-6-4-10-25-15)13-23-9-3-5-14(12-23)19-21-16-7-1-2-8-17(16)22-19/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyJKACSIGFKAFVEH-AWEZNQCLSA-N
XLogP2.65
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 56785945
2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95619483
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
N-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51317520
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97212090
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide
CID 163345083
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 93237874) is 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCC[C@H](c2nc3ccccc3[nH]2)C1)NCc1ccco1.
What is the InChIKey of 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JKACSIGFKAFVEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(20-11-15-6-4-10-25-15)13-23-9-3-5-14(12-23)19-21-16-7-1-2-8-17(16)22-19/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,20,24)(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 93237874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).