N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide

C19H23N3O — CID 110404973

IUPACN-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(N2CCCCC2)cc1)c1ccncc1
InChIInChI=1S/C19H23N3O/c23-19(17-9-11-20-12-10-17)21-13-8-16-4-6-18(7-5-16)22-14-2-1-3-15-22/h4-7,9-12H,1-3,8,13-15H2,(H,21,23)
InChIKeyXNOLOQIKJXCVDI-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide

N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 110404973) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID110404973
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(N2CCCCC2)cc1)c1ccncc1
InChIInChI=1S/C19H23N3O/c23-19(17-9-11-20-12-10-17)21-13-8-16-4-6-18(7-5-16)22-14-2-1-3-15-22/h4-7,9-12H,1-3,8,13-15H2,(H,21,23)
InChIKeyXNOLOQIKJXCVDI-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109172228
5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
CID 16889512

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide (CID 110404973) is N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide is O=C(NCCc1ccc(N2CCCCC2)cc1)c1ccncc1.
What is the InChIKey of N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is XNOLOQIKJXCVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(17-9-11-20-12-10-17)21-13-8-16-4-6-18(7-5-16)22-14-2-1-3-15-22/h4-7,9-12H,1-3,8,13-15H2,(H,21,23).
What are the key properties of N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide?
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110404973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).