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

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Related Compounds

4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 95968299
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 125447527
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 94659172
4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide
CID 95905728
4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide
CID 125438765
methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 75440273
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 75506359
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
N-[1-(2,4-difluorophenyl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55472250

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).