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

C18H20ClN3O2 — CID 45136844

IUPAC1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-24-14-4-2-12(3-5-14)15-10-21-11-16(19)17(15)22-8-6-13(7-9-22)18(20)23/h2-5,10-11,13H,6-9H2,1H3,(H2,20,23)
InChIKeyLDIFZMTUFHLXIP-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.11
Rot. Bonds4

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

1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 45136844) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide
PubChem CID45136844
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-24-14-4-2-12(3-5-14)15-10-21-11-16(19)17(15)22-8-6-13(7-9-22)18(20)23/h2-5,10-11,13H,6-9H2,1H3,(H2,20,23)
InChIKeyLDIFZMTUFHLXIP-UHFFFAOYSA-N
XLogP3.11
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide (CID 45136844) is 1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide is COc1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is LDIFZMTUFHLXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-24-14-4-2-12(3-5-14)15-10-21-11-16(19)17(15)22-8-6-13(7-9-22)18(20)23/h2-5,10-11,13H,6-9H2,1H3,(H2,20,23).
What are the key properties of 1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide?
1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 45136844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).