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

C17H18ClN3O2 — CID 53147492

IUPAC4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-5-15(6-4-13)23-16-7-10-21(11-8-16)17(22)20-14-2-1-9-19-12-14/h1-6,9,12,16H,7-8,10-11H2,(H,20,22)
InChIKeyUKTLADZUTODVGW-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.81
Rot. Bonds3

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

4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 53147492) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID53147492
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-5-15(6-4-13)23-16-7-10-21(11-8-16)17(22)20-14-2-1-9-19-12-14/h1-6,9,12,16H,7-8,10-11H2,(H,20,22)
InChIKeyUKTLADZUTODVGW-UHFFFAOYSA-N
XLogP3.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide (CID 53147492) is 4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnc1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is UKTLADZUTODVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-3-5-15(6-4-13)23-16-7-10-21(11-8-16)17(22)20-14-2-1-9-19-12-14/h1-6,9,12,16H,7-8,10-11H2,(H,20,22).
What are the key properties of 4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide?
4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 53147492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).