3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide

C22H30N4O — CID 91791895

IUPAC3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-25(2)21-6-3-18(4-7-21)5-8-22(27)24-20-11-15-26(16-12-20)17-19-9-13-23-14-10-19/h3-4,6-7,9-10,13-14,20H,5,8,11-12,15-17H2,1-2H3,(H,24,27)
InChIKeyQIUHZFIAUCEFIE-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.86
Rot. Bonds7

About 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide

3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 91791895) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
PubChem CID91791895
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-25(2)21-6-3-18(4-7-21)5-8-22(27)24-20-11-15-26(16-12-20)17-19-9-13-23-14-10-19/h3-4,6-7,9-10,13-14,20H,5,8,11-12,15-17H2,1-2H3,(H,24,27)
InChIKeyQIUHZFIAUCEFIE-UHFFFAOYSA-N
XLogP2.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110473838
3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide
CID 91761249
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414
N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
CID 146086990
3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
CID 114549618
methyl 4-[3-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzoate
CID 68955678

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide (CID 91791895) is 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide is CN(C)c1ccc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is QIUHZFIAUCEFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-25(2)21-6-3-18(4-7-21)5-8-22(27)24-20-11-15-26(16-12-20)17-19-9-13-23-14-10-19/h3-4,6-7,9-10,13-14,20H,5,8,11-12,15-17H2,1-2H3,(H,24,27).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 366.51 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91791895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).