3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

C24H30N4O2 — CID 45209652

IUPAC3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESO=C(CCn1c(CO)nc2ccccc21)NC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c29-18-23-26-21-10-4-5-11-22(21)28(23)16-13-24(30)25-20-9-6-14-27(17-20)15-12-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,29H,6,9,12-18H2,(H,25,30)
InChIKeyRZAMGTJVVYLRFC-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.74
Rot. Bonds8

About 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (PubChem CID 45209652) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
PubChem CID45209652
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESO=C(CCn1c(CO)nc2ccccc21)NC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c29-18-23-26-21-10-4-5-11-22(21)28(23)16-13-24(30)25-20-9-6-14-27(17-20)15-12-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,29H,6,9,12-18H2,(H,25,30)
InChIKeyRZAMGTJVVYLRFC-UHFFFAOYSA-N
XLogP2.74
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 26391622
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 26318438
3-(2-oxoazepan-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45228344
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45184954

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (CID 45209652) is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is O=C(CCn1c(CO)nc2ccccc21)NC1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The InChIKey is RZAMGTJVVYLRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-18-23-26-21-10-4-5-11-22(21)28(23)16-13-24(30)25-20-9-6-14-27(17-20)15-12-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,29H,6,9,12-18H2,(H,25,30).
What are the key properties of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide has a molecular weight of 406.53 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45209652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).