4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide

C18H26N2O2 — CID 129480393

IUPAC4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C18H26N2O2/c19-18(22)14-9-7-13(8-10-14)12-20-11-3-5-16(20)15-4-1-2-6-17(15)21/h7-10,15-17,21H,1-6,11-12H2,(H2,19,22)/t15-,16-,17-/m1/s1
InChIKeyLBIUYGLLSGPKIQ-BRWVUGGUSA-N
MW302.42 g/mol
LogP2.30
Rot. Bonds4

About 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide

4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide (PubChem CID 129480393) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
PubChem CID129480393
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C18H26N2O2/c19-18(22)14-9-7-13(8-10-14)12-20-11-3-5-16(20)15-4-1-2-6-17(15)21/h7-10,15-17,21H,1-6,11-12H2,(H2,19,22)/t15-,16-,17-/m1/s1
InChIKeyLBIUYGLLSGPKIQ-BRWVUGGUSA-N
XLogP2.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339317
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
2-fluoro-5-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480463
2-fluoro-5-[[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480461
2-fluoro-5-[[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480462
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339176
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 17455487
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide (CID 129480393) is 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is LBIUYGLLSGPKIQ-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-18(22)14-9-7-13(8-10-14)12-20-11-3-5-16(20)15-4-1-2-6-17(15)21/h7-10,15-17,21H,1-6,11-12H2,(H2,19,22)/t15-,16-,17-/m1/s1.
What are the key properties of 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide?
4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 302.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 129480393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).