(2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide

C18H23FN4O2 — CID 129489846

IUPAC(2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESO=C(NC1CC1)[C@H](O)C1CCN(Cc2nc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C18H23FN4O2/c19-13-2-1-3-14-16(13)22-15(21-14)10-23-8-6-11(7-9-23)17(24)18(25)20-12-4-5-12/h1-3,11-12,17,24H,4-10H2,(H,20,25)(H,21,22)/t17-/m1/s1
InChIKeyCJJRPRRYVLBRSM-QGZVFWFLSA-N
MW346.41 g/mol
LogP1.55
Rot. Bonds5

About (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide

(2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide (PubChem CID 129489846) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
PubChem CID129489846
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESO=C(NC1CC1)[C@H](O)C1CCN(Cc2nc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C18H23FN4O2/c19-13-2-1-3-14-16(13)22-15(21-14)10-23-8-6-11(7-9-23)17(24)18(25)20-12-4-5-12/h1-3,11-12,17,24H,4-10H2,(H,20,25)(H,21,22)/t17-/m1/s1
InChIKeyCJJRPRRYVLBRSM-QGZVFWFLSA-N
XLogP1.55
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide (CID 129489846) is (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide is O=C(NC1CC1)[C@H](O)C1CCN(Cc2nc3c(F)cccc3[nH]2)CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide?
The InChIKey is CJJRPRRYVLBRSM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23FN4O2/c19-13-2-1-3-14-16(13)22-15(21-14)10-23-8-6-11(7-9-23)17(24)18(25)20-12-4-5-12/h1-3,11-12,17,24H,4-10H2,(H,20,25)(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide?
(2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 346.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 129489846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).