N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide

C19H22N4O2 — CID 120731142

IUPACN-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H22N4O2/c1-14(24)22-11-15-4-6-16(7-5-15)19(25)23-10-9-21-13-18(23)17-3-2-8-20-12-17/h2-8,12,18,21H,9-11,13H2,1H3,(H,22,24)
InChIKeyHZAAMGVETRBUTA-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.50
Rot. Bonds4

About N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide

N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 120731142) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID120731142
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H22N4O2/c1-14(24)22-11-15-4-6-16(7-5-15)19(25)23-10-9-21-13-18(23)17-3-2-8-20-12-17/h2-8,12,18,21H,9-11,13H2,1H3,(H,22,24)
InChIKeyHZAAMGVETRBUTA-UHFFFAOYSA-N
XLogP1.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 120729451
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(2-pyridin-3-ylpiperazin-1-yl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 120731821
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730841
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731736
[4-(difluoromethylsulfonylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729050
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 120739195
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride
CID 120731351
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide (CID 120731142) is N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is HZAAMGVETRBUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(24)22-11-15-4-6-16(7-5-15)19(25)23-10-9-21-13-18(23)17-3-2-8-20-12-17/h2-8,12,18,21H,9-11,13H2,1H3,(H,22,24).
What are the key properties of N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 120731142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).