1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone

C24H22ClN3O3 — CID 155756109

IUPAC1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1
InChIInChI=1S/C24H22ClN3O3/c1-15(29)23-12-16(4-7-27-23)18-10-19(14-26-13-18)21-3-2-17(11-22(21)25)24(31)28-8-5-20(30)6-9-28/h2-4,7,10-14,20,30H,5-6,8-9H2,1H3
InChIKeyPBVIDDIGWPQYGU-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone

1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone (PubChem CID 155756109) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone
PubChem CID155756109
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1
InChIInChI=1S/C24H22ClN3O3/c1-15(29)23-12-16(4-7-27-23)18-10-19(14-26-13-18)21-3-2-17(11-22(21)25)24(31)28-8-5-20(30)6-9-28/h2-4,7,10-14,20,30H,5-6,8-9H2,1H3
InChIKeyPBVIDDIGWPQYGU-UHFFFAOYSA-N
XLogP4.26
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone (CID 155756109) is 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone is CC(=O)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.
What is the InChIKey of 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone?
The InChIKey is PBVIDDIGWPQYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-15(29)23-12-16(4-7-27-23)18-10-19(14-26-13-18)21-3-2-17(11-22(21)25)24(31)28-8-5-20(30)6-9-28/h2-4,7,10-14,20,30H,5-6,8-9H2,1H3.
What are the key properties of 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone?
1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone has a molecular weight of 435.91 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 155756109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).