N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

C19H30N2O2 — CID 92684727

IUPACN-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCCOCCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-3-23-13-5-11-20-19(22)18-9-7-17(8-10-18)15-21-12-4-6-16(2)14-21/h7-10,16H,3-6,11-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyBFQNIOXUKSTTLD-INIZCTEOSA-N
MW318.46 g/mol
LogP3.07
Rot. Bonds8

About N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 92684727) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID92684727
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCCOCCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-3-23-13-5-11-20-19(22)18-9-7-17(8-10-18)15-21-12-4-6-16(2)14-21/h7-10,16H,3-6,11-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyBFQNIOXUKSTTLD-INIZCTEOSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.07
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

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-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 94020974
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-(3-ethoxypropyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43923977
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
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
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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (CID 92684727) is N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is CCOCCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is BFQNIOXUKSTTLD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-23-13-5-11-20-19(22)18-9-7-17(8-10-18)15-21-12-4-6-16(2)14-21/h7-10,16H,3-6,11-15H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 318.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 92684727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).