N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide

C22H29N3O — CID 92584194

IUPACN-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
SMILESCC1CCN([C@H](CNC(=O)CCc2ccncc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-18-11-15-25(16-12-18)21(20-5-3-2-4-6-20)17-24-22(26)8-7-19-9-13-23-14-10-19/h2-6,9-10,13-14,18,21H,7-8,11-12,15-17H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeySVMNVCGIJVGCRP-OAQYLSRUSA-N
MW351.49 g/mol
LogP3.60
Rot. Bonds7

About N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide

N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide (PubChem CID 92584194) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
PubChem CID92584194
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
SMILESCC1CCN([C@H](CNC(=O)CCc2ccncc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-18-11-15-25(16-12-18)21(20-5-3-2-4-6-20)17-24-22(26)8-7-19-9-13-23-14-10-19/h2-6,9-10,13-14,18,21H,7-8,11-12,15-17H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeySVMNVCGIJVGCRP-OAQYLSRUSA-N
XLogP3.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
CID 120612631
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 25471814
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 74231388
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
CID 46979800
3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 60551889
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
CID 60552065
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-pyridin-3-ylpropanamide
CID 99927332
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide (CID 92584194) is N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide is CC1CCN([C@H](CNC(=O)CCc2ccncc2)c2ccccc2)CC1.
What is the InChIKey of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide?
The InChIKey is SVMNVCGIJVGCRP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18-11-15-25(16-12-18)21(20-5-3-2-4-6-20)17-24-22(26)8-7-19-9-13-23-14-10-19/h2-6,9-10,13-14,18,21H,7-8,11-12,15-17H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide?
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 92584194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).