N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide

C24H33N3O2 — CID 42098715

IUPACN-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(CCN2CCC[C@H](CN(C)C(=O)CCc3cccnc3)C2)cc1
InChIInChI=1S/C24H33N3O2/c1-26(24(28)12-9-21-5-3-14-25-17-21)18-22-6-4-15-27(19-22)16-13-20-7-10-23(29-2)11-8-20/h3,5,7-8,10-11,14,17,22H,4,6,9,12-13,15-16,18-19H2,1-2H3/t22-/m1/s1
InChIKeyVFSPAKZUTTXMHE-JOCHJYFZSA-N
MW395.55 g/mol
LogP3.44
Rot. Bonds9

About N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide

N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide (PubChem CID 42098715) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
PubChem CID42098715
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(CCN2CCC[C@H](CN(C)C(=O)CCc3cccnc3)C2)cc1
InChIInChI=1S/C24H33N3O2/c1-26(24(28)12-9-21-5-3-14-25-17-21)18-22-6-4-15-27(19-22)16-13-20-7-10-23(29-2)11-8-20/h3,5,7-8,10-11,14,17,22H,4,6,9,12-13,15-16,18-19H2,1-2H3/t22-/m1/s1
InChIKeyVFSPAKZUTTXMHE-JOCHJYFZSA-N
XLogP3.44
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 97268630
N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 25458865
3-ethyl-1-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 42566930
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45199861
1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 42456744
N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
CID 25478709
2-(4-methoxyphenyl)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 45187969
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N'-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42404091
N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25274770
[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 42191738

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide (CID 42098715) is N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide is COc1ccc(CCN2CCC[C@H](CN(C)C(=O)CCc3cccnc3)C2)cc1.
What is the InChIKey of N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide?
The InChIKey is VFSPAKZUTTXMHE-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-26(24(28)12-9-21-5-3-14-25-17-21)18-22-6-4-15-27(19-22)16-13-20-7-10-23(29-2)11-8-20/h3,5,7-8,10-11,14,17,22H,4,6,9,12-13,15-16,18-19H2,1-2H3/t22-/m1/s1.
What are the key properties of N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide?
N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide has a molecular weight of 395.55 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 42098715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).