N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

C23H30N2O2 — CID 94020974

IUPACN-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C23H30N2O2/c1-18-5-11-22(12-6-18)27-15-13-24-23(26)21-9-7-20(8-10-21)17-25-14-3-4-19(2)16-25/h5-12,19H,3-4,13-17H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyHUJOWAVCRFJYQR-IBGZPJMESA-N
MW366.51 g/mol
LogP4.04
Rot. Bonds7

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

N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 94020974) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID94020974
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C23H30N2O2/c1-18-5-11-22(12-6-18)27-15-13-24-23(26)21-9-7-20(8-10-21)17-25-14-3-4-19(2)16-25/h5-12,19H,3-4,13-17H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyHUJOWAVCRFJYQR-IBGZPJMESA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684727
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
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
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
CID 93490121
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (CID 94020974) is N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is Cc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is HUJOWAVCRFJYQR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-5-11-22(12-6-18)27-15-13-24-23(26)21-9-7-20(8-10-21)17-25-14-3-4-19(2)16-25/h5-12,19H,3-4,13-17H2,1-2H3,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 94020974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).