1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide

C17H17Cl2N3O — CID 118730655

IUPAC1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3O/c18-14-10-20-11-15(19)16(14)22-8-6-12(7-9-22)17(23)21-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,21,23)
InChIKeyFBVBFCUVASPMFU-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.24
Rot. Bonds3

About 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide

1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 118730655) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide
PubChem CID118730655
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3O/c18-14-10-20-11-15(19)16(14)22-8-6-12(7-9-22)17(23)21-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,21,23)
InChIKeyFBVBFCUVASPMFU-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide (CID 118730655) is 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is FBVBFCUVASPMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-14-10-20-11-15(19)16(14)22-8-6-12(7-9-22)17(23)21-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,21,23).
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide?
1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 118730655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).