(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide

C18H20ClFN4O — CID 90654573

IUPAC(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C18H20ClFN4O/c19-15-5-3-13(4-6-15)7-8-21-17(25)14-2-1-9-24(12-14)18-22-10-16(20)11-23-18/h3-6,10-11,14H,1-2,7-9,12H2,(H,21,25)/t14-/m1/s1
InChIKeyKUTJEWYDBTYQNW-CQSZACIVSA-N
MW362.84 g/mol
LogP2.84
Rot. Bonds5

About (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide

(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 90654573) has the molecular formula C18H20ClFN4O and a molecular weight of 362.84 g/mol. Its IUPAC name is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID90654573
Molecular FormulaC18H20ClFN4O
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C18H20ClFN4O/c19-15-5-3-13(4-6-15)7-8-21-17(25)14-2-1-9-24(12-14)18-22-10-16(20)11-23-18/h3-6,10-11,14H,1-2,7-9,12H2,(H,21,25)/t14-/m1/s1
InChIKeyKUTJEWYDBTYQNW-CQSZACIVSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide (CID 90654573) is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is KUTJEWYDBTYQNW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClFN4O/c19-15-5-3-13(4-6-15)7-8-21-17(25)14-2-1-9-24(12-14)18-22-10-16(20)11-23-18/h3-6,10-11,14H,1-2,7-9,12H2,(H,21,25)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide?
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90654573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).