N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide

C22H27N3O2 — CID 25289024

IUPACN-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)Cc3cccnc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-17-4-2-6-20(14-17)24-21(26)8-7-18-9-12-25(13-10-18)22(27)15-19-5-3-11-23-16-19/h2-6,11,14,16,18H,7-10,12-13,15H2,1H3,(H,24,26)
InChIKeyIYMLUUAYMKMNHN-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.59
Rot. Bonds6

About N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide

N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide (PubChem CID 25289024) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide
PubChem CID25289024
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)Cc3cccnc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-17-4-2-6-20(14-17)24-21(26)8-7-18-9-12-25(13-10-18)22(27)15-19-5-3-11-23-16-19/h2-6,11,14,16,18H,7-10,12-13,15H2,1H3,(H,24,26)
InChIKeyIYMLUUAYMKMNHN-UHFFFAOYSA-N
XLogP3.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 97271131
N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
CID 25288635
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 42517122
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
CID 72881305
N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45218064
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 25289998
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926378

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide (CID 25289024) is N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide is Cc1cccc(NC(=O)CCC2CCN(C(=O)Cc3cccnc3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide?
The InChIKey is IYMLUUAYMKMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-4-2-6-20(14-17)24-21(26)8-7-18-9-12-25(13-10-18)22(27)15-19-5-3-11-23-16-19/h2-6,11,14,16,18H,7-10,12-13,15H2,1H3,(H,24,26).
What are the key properties of N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide?
N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide has a molecular weight of 365.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25289024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).