N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide

C22H31FN4O — CID 45245070

IUPACN,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cnn(CC)c1
InChIInChI=1S/C22H31FN4O/c1-3-26(22(28)20-14-24-27(4-2)17-20)16-19-8-6-11-25(15-19)12-10-18-7-5-9-21(23)13-18/h5,7,9,13-14,17,19H,3-4,6,8,10-12,15-16H2,1-2H3
InChIKeyVASYSDRUJHBYSF-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.46
Rot. Bonds8

About N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide

N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 45245070) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID45245070
Molecular FormulaC22H31FN4O
Molecular Weight386.52 g/mol
Exact Mass386.25
IUPAC NameN,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cnn(CC)c1
InChIInChI=1S/C22H31FN4O/c1-3-26(22(28)20-14-24-27(4-2)17-20)16-19-8-6-11-25(15-19)12-10-18-7-5-9-21(23)13-18/h5,7,9,13-14,17,19H,3-4,6,8,10-12,15-16H2,1-2H3
InChIKeyVASYSDRUJHBYSF-UHFFFAOYSA-N
XLogP3.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide (CID 45245070) is N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide is CCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cnn(CC)c1.
What is the InChIKey of N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is VASYSDRUJHBYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O/c1-3-26(22(28)20-14-24-27(4-2)17-20)16-19-8-6-11-25(15-19)12-10-18-7-5-9-21(23)13-18/h5,7,9,13-14,17,19H,3-4,6,8,10-12,15-16H2,1-2H3.
What are the key properties of N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 45245070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).