4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide

C21H33N3O2 — CID 43905022

IUPAC4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC1CCCN(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)C1
InChIInChI=1S/C21H33N3O2/c1-18-4-2-10-24(16-18)17-19-5-7-20(8-6-19)21(25)22-9-3-11-23-12-14-26-15-13-23/h5-8,18H,2-4,9-17H2,1H3,(H,22,25)
InChIKeySRNKUBUQCDHAFL-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.37
Rot. Bonds7

About 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide

4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 43905022) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID43905022
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC1CCCN(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)C1
InChIInChI=1S/C21H33N3O2/c1-18-4-2-10-24(16-18)17-19-5-7-20(8-6-19)21(25)22-9-3-11-23-12-14-26-15-13-23/h5-8,18H,2-4,9-17H2,1H3,(H,22,25)
InChIKeySRNKUBUQCDHAFL-UHFFFAOYSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189659
N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684727
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577401
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 43905022) is 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide is CC1CCCN(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)C1.
What is the InChIKey of 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is SRNKUBUQCDHAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-18-4-2-10-24(16-18)17-19-5-7-20(8-6-19)21(25)22-9-3-11-23-12-14-26-15-13-23/h5-8,18H,2-4,9-17H2,1H3,(H,22,25).
What are the key properties of 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 359.51 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 43905022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).