N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide

C19H24N4O — CID 44754054

IUPACN-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide
SMILESO=C(CNCc1cccnc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H24N4O/c24-19(15-21-14-16-5-4-10-20-13-16)22-17-6-8-18(9-7-17)23-11-2-1-3-12-23/h4-10,13,21H,1-3,11-12,14-15H2,(H,22,24)
InChIKeyCQFBDSSDOVPVLE-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.80
Rot. Bonds6

About N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide

N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide (PubChem CID 44754054) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide
PubChem CID44754054
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide
SMILESO=C(CNCc1cccnc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H24N4O/c24-19(15-21-14-16-5-4-10-20-13-16)22-17-6-8-18(9-7-17)23-11-2-1-3-12-23/h4-10,13,21H,1-3,11-12,14-15H2,(H,22,24)
InChIKeyCQFBDSSDOVPVLE-UHFFFAOYSA-N
XLogP2.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.80
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-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-3-ylmethylamino)acetamide
CID 108999433
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976886
oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
CID 175652905
3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide
CID 123274591
N-(4-piperidin-1-ylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213203
N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307275
2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258918
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999704
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide
CID 43816680

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide (CID 44754054) is N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide is O=C(CNCc1cccnc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide?
The InChIKey is CQFBDSSDOVPVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(15-21-14-16-5-4-10-20-13-16)22-17-6-8-18(9-7-17)23-11-2-1-3-12-23/h4-10,13,21H,1-3,11-12,14-15H2,(H,22,24).
What are the key properties of N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide?
N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide has a molecular weight of 324.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide is sourced from PubChem (CID 44754054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).