4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide

C19H22ClFN4O2 — CID 96519241

IUPAC4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(F)c1[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H22ClFN4O2/c1-13(18-15(21)4-3-5-16(18)27-2)23-19(26)25-10-8-24(9-11-25)17-7-6-14(20)12-22-17/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)/t13-/m0/s1
InChIKeyFTRUADFTAUCIAV-ZDUSSCGKSA-N
MW392.86 g/mol
LogP3.48
Rot. Bonds4

About 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide

4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 96519241) has the molecular formula C19H22ClFN4O2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID96519241
Molecular FormulaC19H22ClFN4O2
Molecular Weight392.86 g/mol
Exact Mass392.14
IUPAC Name4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(F)c1[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H22ClFN4O2/c1-13(18-15(21)4-3-5-16(18)27-2)23-19(26)25-10-8-24(9-11-25)17-7-6-14(20)12-22-17/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)/t13-/m0/s1
InChIKeyFTRUADFTAUCIAV-ZDUSSCGKSA-N
XLogP3.48
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 96519241) is 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1cccc(F)c1[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is FTRUADFTAUCIAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22ClFN4O2/c1-13(18-15(21)4-3-5-16(18)27-2)23-19(26)25-10-8-24(9-11-25)17-7-6-14(20)12-22-17/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)/t13-/m0/s1.
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide?
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 392.86 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 96519241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).