N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

C19H23N3O — CID 46384741

IUPACN-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-2-15-4-3-5-17(14-15)21-19(23)16-8-12-22(13-9-16)18-6-10-20-11-7-18/h3-7,10-11,14,16H,2,8-9,12-13H2,1H3,(H,21,23)
InChIKeyMQBDRORHPKQHAD-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.50
Rot. Bonds4

About N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384741) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384741
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-2-15-4-3-5-17(14-15)21-19(23)16-8-12-22(13-9-16)18-6-10-20-11-7-18/h3-7,10-11,14,16H,2,8-9,12-13H2,1H3,(H,21,23)
InChIKeyMQBDRORHPKQHAD-UHFFFAOYSA-N
XLogP3.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384738
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
N-(3-ethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070565
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 20883932
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 22581235
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
N-butan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384683
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384741) is N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is MQBDRORHPKQHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-15-4-3-5-17(14-15)21-19(23)16-8-12-22(13-9-16)18-6-10-20-11-7-18/h3-7,10-11,14,16H,2,8-9,12-13H2,1H3,(H,21,23).
What are the key properties of N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).