N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C20H25FN4O — CID 134055413

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H25FN4O/c1-23(14-17-5-7-18(21)8-6-17)20(26)16-25-12-10-24(11-13-25)15-19-4-2-3-9-22-19/h2-9H,10-16H2,1H3
InChIKeyGIXVDFZGLSNGDP-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.00
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 134055413) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID134055413
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H25FN4O/c1-23(14-17-5-7-18(21)8-6-17)20(26)16-25-12-10-24(11-13-25)15-19-4-2-3-9-22-19/h2-9H,10-16H2,1H3
InChIKeyGIXVDFZGLSNGDP-UHFFFAOYSA-N
XLogP2.00
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134055397
4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 52673339
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55462200
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 87015631
N-(3-fluorophenyl)-2-[4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433653
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
N-[(4-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylsulfonylacetamide
CID 53499045
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570181
N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 78895971
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylmorpholin-4-yl)acetamide
CID 134055268
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 134055413) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is CN(Cc1ccc(F)cc1)C(=O)CN1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is GIXVDFZGLSNGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-23(14-17-5-7-18(21)8-6-17)20(26)16-25-12-10-24(11-13-25)15-19-4-2-3-9-22-19/h2-9H,10-16H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134055413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).