piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate

C19H18ClF3N4O3 — CID 87941257

IUPACpiperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate
SMILESO=C(Nc1ccccc1N(C(=O)C(F)(F)F)c1ccc(Cl)cn1)OC1CCNCC1
InChIInChI=1S/C19H18ClF3N4O3/c20-12-5-6-16(25-11-12)27(17(28)19(21,22)23)15-4-2-1-3-14(15)26-18(29)30-13-7-9-24-10-8-13/h1-6,11,13,24H,7-10H2,(H,26,29)
InChIKeyUIKZTZSSNKSUDC-UHFFFAOYSA-N
MW442.83 g/mol
LogP4.26
Rot. Bonds4

About piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate

piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate (PubChem CID 87941257) has the molecular formula C19H18ClF3N4O3 and a molecular weight of 442.83 g/mol. Its IUPAC name is piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate
PubChem CID87941257
Molecular FormulaC19H18ClF3N4O3
Molecular Weight442.83 g/mol
Exact Mass442.10
IUPAC Namepiperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate
SMILESO=C(Nc1ccccc1N(C(=O)C(F)(F)F)c1ccc(Cl)cn1)OC1CCNCC1
InChIInChI=1S/C19H18ClF3N4O3/c20-12-5-6-16(25-11-12)27(17(28)19(21,22)23)15-4-2-1-3-14(15)26-18(29)30-13-7-9-24-10-8-13/h1-6,11,13,24H,7-10H2,(H,26,29)
InChIKeyUIKZTZSSNKSUDC-UHFFFAOYSA-N
XLogP4.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.83
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate?
The IUPAC name of piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate (CID 87941257) is piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate.
What is the SMILES notation for piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate?
The canonical SMILES for piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate is O=C(Nc1ccccc1N(C(=O)C(F)(F)F)c1ccc(Cl)cn1)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate?
The InChIKey is UIKZTZSSNKSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O3/c20-12-5-6-16(25-11-12)27(17(28)19(21,22)23)15-4-2-1-3-14(15)26-18(29)30-13-7-9-24-10-8-13/h1-6,11,13,24H,7-10H2,(H,26,29).
What are the key properties of piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate?
piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate has a molecular weight of 442.83 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate is sourced from PubChem (CID 87941257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).