N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

C22H29FN4O2 — CID 18663123

IUPACN-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1cc(C(C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)nc1C
InChIInChI=1S/C22H29FN4O2/c1-5-17-14-20(21(29-4)24-15(17)2)16(3)25-22(28)27-12-10-26(11-13-27)19-8-6-18(23)7-9-19/h6-9,14,16H,5,10-13H2,1-4H3,(H,25,28)
InChIKeyFXMOQSHESIYKCP-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 18663123) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID18663123
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC NameN-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1cc(C(C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)nc1C
InChIInChI=1S/C22H29FN4O2/c1-5-17-14-20(21(29-4)24-15(17)2)16(3)25-22(28)27-12-10-26(11-13-27)19-8-6-18(23)7-9-19/h6-9,14,16H,5,10-13H2,1-4H3,(H,25,28)
InChIKeyFXMOQSHESIYKCP-UHFFFAOYSA-N
XLogP3.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 18663113
methyl (2S,3R)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylpentanoate
CID 2012778
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3-hydroxy-4-methoxyphenyl)piperazine-1-carboxamide
CID 18663099
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 19357182
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 18663089
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663086
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
CID 23446229
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutanoate
CID 79413715

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 18663123) is N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is CCc1cc(C(C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)nc1C.
What is the InChIKey of N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is FXMOQSHESIYKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-5-17-14-20(21(29-4)24-15(17)2)16(3)25-22(28)27-12-10-26(11-13-27)19-8-6-18(23)7-9-19/h6-9,14,16H,5,10-13H2,1-4H3,(H,25,28).
What are the key properties of N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).