N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide

C20H32N2O2 — CID 58458009

IUPACN-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide
SMILESCC(C)[C@H](CN1CCCC(C)(C)C1)NC(=O)c1cccc(CO)c1
InChIInChI=1S/C20H32N2O2/c1-15(2)18(12-22-10-6-9-20(3,4)14-22)21-19(24)17-8-5-7-16(11-17)13-23/h5,7-8,11,15,18,23H,6,9-10,12-14H2,1-4H3,(H,21,24)/t18-/m0/s1
InChIKeyHCWJRVWEYRXLKL-SFHVURJKSA-N
MW332.49 g/mol
LogP3.06
Rot. Bonds6

About N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide

N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide (PubChem CID 58458009) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide
PubChem CID58458009
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide
SMILESCC(C)[C@H](CN1CCCC(C)(C)C1)NC(=O)c1cccc(CO)c1
InChIInChI=1S/C20H32N2O2/c1-15(2)18(12-22-10-6-9-20(3,4)14-22)21-19(24)17-8-5-7-16(11-17)13-23/h5,7-8,11,15,18,23H,6,9-10,12-14H2,1-4H3,(H,21,24)/t18-/m0/s1
InChIKeyHCWJRVWEYRXLKL-SFHVURJKSA-N
XLogP3.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-N-(3-methyl-1-piperidin-1-ylbutan-2-yl)benzamide
CID 123940447
3-(hydroxymethyl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide
CID 134505589
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
CID 107408896
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176822
N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 103782460
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 55214615
2-methyl-3-[(3-methyl-1-piperidin-1-ylbutan-2-yl)carbamoyl]benzoic acid
CID 166290185
4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 123915044
N-(2,4-dimethylpentan-3-yl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921351
(2S,3S)-3-methyl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]pentanoic acid
CID 92929044
3-(3,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64789822

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide?
The IUPAC name of N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide (CID 58458009) is N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide?
The canonical SMILES for N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide is CC(C)[C@H](CN1CCCC(C)(C)C1)NC(=O)c1cccc(CO)c1.
What is the InChIKey of N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide?
The InChIKey is HCWJRVWEYRXLKL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15(2)18(12-22-10-6-9-20(3,4)14-22)21-19(24)17-8-5-7-16(11-17)13-23/h5,7-8,11,15,18,23H,6,9-10,12-14H2,1-4H3,(H,21,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide?
N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide has a molecular weight of 332.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-yl]-3-(hydroxymethyl)benzamide is sourced from PubChem (CID 58458009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).