4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide

C17H26N2O — CID 43885844

IUPAC4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC1CCCN(Cc2ccc(C(=O)NC(C)C)cc2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)18-17(20)16-8-6-15(7-9-16)12-19-10-4-5-14(3)11-19/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyPYOMRHFNZWLRML-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.06
Rot. Bonds4

About 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide

4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 43885844) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID43885844
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC1CCCN(Cc2ccc(C(=O)NC(C)C)cc2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)18-17(20)16-8-6-15(7-9-16)12-19-10-4-5-14(3)11-19/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyPYOMRHFNZWLRML-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 125063633
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99939718
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46775851
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94023972
N-[1-(2-methylphenoxy)propan-2-yl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46765429
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
N-[1-(4-methoxyphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876464
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
CID 93490121
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide (CID 43885844) is 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide is CC1CCCN(Cc2ccc(C(=O)NC(C)C)cc2)C1.
What is the InChIKey of 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is PYOMRHFNZWLRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)18-17(20)16-8-6-15(7-9-16)12-19-10-4-5-14(3)11-19/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 43885844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).