4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide

C16H22N2O2 — CID 114485293

IUPAC4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CN1CC2CCC(O)C2C1
InChIInChI=1S/C16H22N2O2/c1-10-6-11(16(17)20)2-3-12(10)7-18-8-13-4-5-15(19)14(13)9-18/h2-3,6,13-15,19H,4-5,7-9H2,1H3,(H2,17,20)
InChIKeyBUYXRABTDZBZBF-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.30
Rot. Bonds3

About 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide

4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide (PubChem CID 114485293) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide
PubChem CID114485293
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CN1CC2CCC(O)C2C1
InChIInChI=1S/C16H22N2O2/c1-10-6-11(16(17)20)2-3-12(10)7-18-8-13-4-5-15(19)14(13)9-18/h2-3,6,13-15,19H,4-5,7-9H2,1H3,(H2,17,20)
InChIKeyBUYXRABTDZBZBF-UHFFFAOYSA-N
XLogP1.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide with MolForge

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Related Compounds

3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide
CID 102669720
1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630
2-[(2-methylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399519
2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid
CID 114484637
4-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-3-methylbenzamide
CID 114484857
3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 114484796
4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
CID 114480489
2-amino-6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzoic acid
CID 104824853
1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 114484309
4-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylbenzenecarbothioamide
CID 114481915
4-[(3,5-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarbothioamide
CID 114481702
3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide (CID 114485293) is 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CN1CC2CCC(O)C2C1.
What is the InChIKey of 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide?
The InChIKey is BUYXRABTDZBZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-6-11(16(17)20)2-3-12(10)7-18-8-13-4-5-15(19)14(13)9-18/h2-3,6,13-15,19H,4-5,7-9H2,1H3,(H2,17,20).
What are the key properties of 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide?
4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 114485293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).