3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

C21H30N4O3 — CID 56717915

IUPAC3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCC(c3nc4ccccc4[nH]3)CC2)C1=O
InChIInChI=1S/C21H30N4O3/c1-28-14-13-25-10-4-9-21(27,20(25)26)15-24-11-7-16(8-12-24)19-22-17-5-2-3-6-18(17)23-19/h2-3,5-6,16,27H,4,7-15H2,1H3,(H,22,23)
InChIKeyOKVQMFQQIDAVQQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.74
Rot. Bonds6

About 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 56717915) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
PubChem CID56717915
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCC(c3nc4ccccc4[nH]3)CC2)C1=O
InChIInChI=1S/C21H30N4O3/c1-28-14-13-25-10-4-9-21(27,20(25)26)15-24-11-7-16(8-12-24)19-22-17-5-2-3-6-18(17)23-19/h2-3,5-6,16,27H,4,7-15H2,1H3,(H,22,23)
InChIKeyOKVQMFQQIDAVQQ-UHFFFAOYSA-N
XLogP1.74
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (CID 56717915) is 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is COCCN1CCCC(O)(CN2CCC(c3nc4ccccc4[nH]3)CC2)C1=O.
What is the InChIKey of 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is OKVQMFQQIDAVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-28-14-13-25-10-4-9-21(27,20(25)26)15-24-11-7-16(8-12-24)19-22-17-5-2-3-6-18(17)23-19/h2-3,5-6,16,27H,4,7-15H2,1H3,(H,22,23).
What are the key properties of 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 386.50 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 56717915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).