N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

C25H21ClF3N3O3 — CID 127044250

IUPACN-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21ClF3N3O3/c26-21-7-6-19(31-23(33)16-3-1-5-18(13-16)25(27,28)29)14-22(21)35-20-8-11-32(12-9-20)24(34)17-4-2-10-30-15-17/h1-7,10,13-15,20H,8-9,11-12H2,(H,31,33)
InChIKeyRDNZWWIGQMOLGY-UHFFFAOYSA-N
MW503.91 g/mol
LogP5.69
Rot. Bonds5

About N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 127044250) has the molecular formula C25H21ClF3N3O3 and a molecular weight of 503.91 g/mol. Its IUPAC name is N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID127044250
Molecular FormulaC25H21ClF3N3O3
Molecular Weight503.91 g/mol
Exact Mass503.12
IUPAC NameN-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21ClF3N3O3/c26-21-7-6-19(31-23(33)16-3-1-5-18(13-16)25(27,28)29)14-22(21)35-20-8-11-32(12-9-20)24(34)17-4-2-10-30-15-17/h1-7,10,13-15,20H,8-9,11-12H2,(H,31,33)
InChIKeyRDNZWWIGQMOLGY-UHFFFAOYSA-N
XLogP5.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.91
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (CID 127044250) is N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)c(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RDNZWWIGQMOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N3O3/c26-21-7-6-19(31-23(33)16-3-1-5-18(13-16)25(27,28)29)14-22(21)35-20-8-11-32(12-9-20)24(34)17-4-2-10-30-15-17/h1-7,10,13-15,20H,8-9,11-12H2,(H,31,33).
What are the key properties of N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 503.91 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 127044250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).