1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide

C17H16ClF2N3O — CID 45275882

IUPAC1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16ClF2N3O/c18-13-9-22-8-12(11-1-2-14(19)15(20)7-11)16(13)23-5-3-10(4-6-23)17(21)24/h1-2,7-10H,3-6H2,(H2,21,24)
InChIKeyLOMZEZMATRPLKQ-UHFFFAOYSA-N
MW351.78 g/mol
LogP3.38
Rot. Bonds3

About 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide

1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 45275882) has the molecular formula C17H16ClF2N3O and a molecular weight of 351.78 g/mol. Its IUPAC name is 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide
PubChem CID45275882
Molecular FormulaC17H16ClF2N3O
Molecular Weight351.78 g/mol
Exact Mass351.09
IUPAC Name1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16ClF2N3O/c18-13-9-22-8-12(11-1-2-14(19)15(20)7-11)16(13)23-5-3-10(4-6-23)17(21)24/h1-2,7-10H,3-6H2,(H2,21,24)
InChIKeyLOMZEZMATRPLKQ-UHFFFAOYSA-N
XLogP3.38
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide (CID 45275882) is 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is LOMZEZMATRPLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O/c18-13-9-22-8-12(11-1-2-14(19)15(20)7-11)16(13)23-5-3-10(4-6-23)17(21)24/h1-2,7-10H,3-6H2,(H2,21,24).
What are the key properties of 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide?
1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 351.78 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 45275882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).