4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C24H32N2O2 — CID 94023972

IUPAC4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-18(2)28-23-12-8-20(9-13-23)15-25-24(27)22-10-6-21(7-11-22)17-26-14-4-5-19(3)16-26/h6-13,18-19H,4-5,14-17H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyZBUXUXBPHSKZFJ-IBGZPJMESA-N
MW380.53 g/mol
LogP4.64
Rot. Bonds7

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

4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 94023972) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID94023972
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-18(2)28-23-12-8-20(9-13-23)15-25-24(27)22-10-6-21(7-11-22)17-26-14-4-5-19(3)16-26/h6-13,18-19H,4-5,14-17H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyZBUXUXBPHSKZFJ-IBGZPJMESA-N
XLogP4.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46775851
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60556216
N-[(3-ethoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43907292
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684727
N-[(2-methoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283594
N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 94020974

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 94023972) is 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1.
What is the InChIKey of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is ZBUXUXBPHSKZFJ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18(2)28-23-12-8-20(9-13-23)15-25-24(27)22-10-6-21(7-11-22)17-26-14-4-5-19(3)16-26/h6-13,18-19H,4-5,14-17H2,1-3H3,(H,25,27)/t19-/m0/s1.
What are the key properties of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 380.53 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 94023972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).