N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C18H22FN5O — CID 26570181

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22FN5O/c1-22(13-15-5-2-3-6-16(15)19)17(25)14-23-9-11-24(12-10-23)18-20-7-4-8-21-18/h2-8H,9-14H2,1H3
InChIKeyFZGZQGCNQQBXNW-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.40
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 26570181) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID26570181
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22FN5O/c1-22(13-15-5-2-3-6-16(15)19)17(25)14-23-9-11-24(12-10-23)18-20-7-4-8-21-18/h2-8H,9-14H2,1H3
InChIKeyFZGZQGCNQQBXNW-UHFFFAOYSA-N
XLogP1.40
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-fluorophenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55568353
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 8595309
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 90647609
N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 91835204
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8559413
N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 60538231
2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 114395074
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 119926329
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595306

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 26570181) is N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CN(Cc1ccccc1F)C(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is FZGZQGCNQQBXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-22(13-15-5-2-3-6-16(15)19)17(25)14-23-9-11-24(12-10-23)18-20-7-4-8-21-18/h2-8H,9-14H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 26570181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).