2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide

C21H33N3O — CID 120599103

IUPAC2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC1CC(NC(=O)C(C)N2CCC(Cc3ccccc3)CC2)CCN1
InChIInChI=1S/C21H33N3O/c1-16-14-20(8-11-22-16)23-21(25)17(2)24-12-9-19(10-13-24)15-18-6-4-3-5-7-18/h3-7,16-17,19-20,22H,8-15H2,1-2H3,(H,23,25)
InChIKeyMKSHCMUYIRAMFW-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide

2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide (PubChem CID 120599103) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
PubChem CID120599103
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC1CC(NC(=O)C(C)N2CCC(Cc3ccccc3)CC2)CCN1
InChIInChI=1S/C21H33N3O/c1-16-14-20(8-11-22-16)23-21(25)17(2)24-12-9-19(10-13-24)15-18-6-4-3-5-7-18/h3-7,16-17,19-20,22H,8-15H2,1-2H3,(H,23,25)
InChIKeyMKSHCMUYIRAMFW-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600315
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide
CID 11603631
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide
CID 119602815
2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535685
1-[2-(4-benzylpiperidin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356295

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide (CID 120599103) is 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide is CC1CC(NC(=O)C(C)N2CCC(Cc3ccccc3)CC2)CCN1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide?
The InChIKey is MKSHCMUYIRAMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-16-14-20(8-11-22-16)23-21(25)17(2)24-12-9-19(10-13-24)15-18-6-4-3-5-7-18/h3-7,16-17,19-20,22H,8-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide?
2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide has a molecular weight of 343.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120599103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).