(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide

C23H28N4O — CID 125177370

IUPAC(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide
SMILESC[C@H](C(=O)NCCN1CCC(c2ccccc2)CC1)n1cnc2ccccc21
InChIInChI=1S/C23H28N4O/c1-18(27-17-25-21-9-5-6-10-22(21)27)23(28)24-13-16-26-14-11-20(12-15-26)19-7-3-2-4-8-19/h2-10,17-18,20H,11-16H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeyCUBWHFCFYIHPED-GOSISDBHSA-N
MW376.50 g/mol
LogP3.59
Rot. Bonds6

About (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide

(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide (PubChem CID 125177370) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide
PubChem CID125177370
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide
SMILESC[C@H](C(=O)NCCN1CCC(c2ccccc2)CC1)n1cnc2ccccc21
InChIInChI=1S/C23H28N4O/c1-18(27-17-25-21-9-5-6-10-22(21)27)23(28)24-13-16-26-14-11-20(12-15-26)19-7-3-2-4-8-19/h2-10,17-18,20H,11-16H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeyCUBWHFCFYIHPED-GOSISDBHSA-N
XLogP3.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide (CID 125177370) is (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide is C[C@H](C(=O)NCCN1CCC(c2ccccc2)CC1)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is CUBWHFCFYIHPED-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O/c1-18(27-17-25-21-9-5-6-10-22(21)27)23(28)24-13-16-26-14-11-20(12-15-26)19-7-3-2-4-8-19/h2-10,17-18,20H,11-16H2,1H3,(H,24,28)/t18-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide?
(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 125177370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).