4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide

C19H30N2O2 — CID 95873116

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
SMILESCN1CCCC[C@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,23)12-11-15-7-9-16(10-8-15)18(22)20-14-17-6-4-5-13-21(17)3/h7-10,17,23H,4-6,11-14H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyGBICZFVMDCRIQE-KRWDZBQOSA-N
MW318.46 g/mol
LogP2.60
Rot. Bonds6

About 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide (PubChem CID 95873116) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
PubChem CID95873116
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
SMILESCN1CCCC[C@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,23)12-11-15-7-9-16(10-8-15)18(22)20-14-17-6-4-5-13-21(17)3/h7-10,17,23H,4-6,11-14H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyGBICZFVMDCRIQE-KRWDZBQOSA-N
XLogP2.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137648
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide
CID 95869015
[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95863375
4-(3-hydroxy-3-methylbutyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 56909604
[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95872305
N-[(1-methylpiperidin-2-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62173667
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62655654
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025
4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95874324

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide (CID 95873116) is 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide is CN1CCCC[C@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide?
The InChIKey is GBICZFVMDCRIQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,23)12-11-15-7-9-16(10-8-15)18(22)20-14-17-6-4-5-13-21(17)3/h7-10,17,23H,4-6,11-14H2,1-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide has a molecular weight of 318.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 95873116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).