3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide

C21H28N4O — CID 109023888

IUPAC3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC1CCN(c2ccc(NCCC(=O)NCc3ccncc3)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-17-9-14-25(15-10-17)20-4-2-19(3-5-20)23-13-8-21(26)24-16-18-6-11-22-12-7-18/h2-7,11-12,17,23H,8-10,13-16H2,1H3,(H,24,26)
InChIKeyKFCLWPVLWWRAIG-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.44
Rot. Bonds7

About 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide

3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 109023888) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID109023888
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC1CCN(c2ccc(NCCC(=O)NCc3ccncc3)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-17-9-14-25(15-10-17)20-4-2-19(3-5-20)23-13-8-21(26)24-16-18-6-11-22-12-7-18/h2-7,11-12,17,23H,8-10,13-16H2,1H3,(H,24,26)
InChIKeyKFCLWPVLWWRAIG-UHFFFAOYSA-N
XLogP3.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109025321
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109035126
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113163901
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108961621
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109032403
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide (CID 109023888) is 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide is CC1CCN(c2ccc(NCCC(=O)NCc3ccncc3)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is KFCLWPVLWWRAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-9-14-25(15-10-17)20-4-2-19(3-5-20)23-13-8-21(26)24-16-18-6-11-22-12-7-18/h2-7,11-12,17,23H,8-10,13-16H2,1H3,(H,24,26).
What are the key properties of 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide?
3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 109023888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).