3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide

C17H26N2O2 — CID 134505589

IUPAC3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(C)(NC(=O)c2cccc(CO)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)19-9-7-17(3,8-10-19)18-16(21)15-6-4-5-14(11-15)12-20/h4-6,11,13,20H,7-10,12H2,1-3H3,(H,18,21)
InChIKeyASFPPCZFJOCHAY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.17
Rot. Bonds4

About 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide

3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 134505589) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID134505589
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(C)(NC(=O)c2cccc(CO)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)19-9-7-17(3,8-10-19)18-16(21)15-6-4-5-14(11-15)12-20/h4-6,11,13,20H,7-10,12H2,1-3H3,(H,18,21)
InChIKeyASFPPCZFJOCHAY-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 134505678
N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide
CID 58458009
N-(1-ethyl-4-methylpiperidin-4-yl)-3-fluorobenzamide
CID 146322467
5-chloro-2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
CID 134505611
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
3-(hydroxymethyl)-N-methoxybenzamide
CID 130675925
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxocyclohexa-1,4-diene-1-carboxamide
CID 159061032
N-(4-benzyl-1-propan-2-ylpiperidin-4-yl)acetamide
CID 134505417
3-(2-aminoethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 62593153
N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide
CID 46203787
[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62591369

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide (CID 134505589) is 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide is CC(C)N1CCC(C)(NC(=O)c2cccc(CO)c2)CC1.
What is the InChIKey of 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is ASFPPCZFJOCHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)19-9-7-17(3,8-10-19)18-16(21)15-6-4-5-14(11-15)12-20/h4-6,11,13,20H,7-10,12H2,1-3H3,(H,18,21).
What are the key properties of 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide?
3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 134505589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).