N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide

C23H29N3O2 — CID 113120225

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccn1
InChIInChI=1S/C23H29N3O2/c1-19(27)26(18-22-9-5-6-13-24-22)16-12-23(28)25-14-10-21(11-15-25)17-20-7-3-2-4-8-20/h2-9,13,21H,10-12,14-18H2,1H3
InChIKeyMNBRRIISTXVVKQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.30
Rot. Bonds7

About N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 113120225) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID113120225
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccn1
InChIInChI=1S/C23H29N3O2/c1-19(27)26(18-22-9-5-6-13-24-22)16-12-23(28)25-14-10-21(11-15-25)17-20-7-3-2-4-8-20/h2-9,13,21H,10-12,14-18H2,1H3
InChIKeyMNBRRIISTXVVKQ-UHFFFAOYSA-N
XLogP3.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
CID 113115792
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
CID 113123069
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118967
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)acetamide
CID 113124191
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030337
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120320

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide (CID 113120225) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccn1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MNBRRIISTXVVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-19(27)26(18-22-9-5-6-13-24-22)16-12-23(28)25-14-10-21(11-15-25)17-20-7-3-2-4-8-20/h2-9,13,21H,10-12,14-18H2,1H3.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 113120225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).