2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide

C22H28N4O2 — CID 120729451

IUPAC2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)21(28)25-13-16-6-8-17(9-7-16)20(27)26-12-11-24-15-19(26)18-5-4-10-23-14-18/h4-10,14,19,24H,11-13,15H2,1-3H3,(H,25,28)
InChIKeyVYAAMBHCGLRWGI-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.53
Rot. Bonds4

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

2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 120729451) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID120729451
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)21(28)25-13-16-6-8-17(9-7-16)20(27)26-12-11-24-15-19(26)18-5-4-10-23-14-18/h4-10,14,19,24H,11-13,15H2,1-3H3,(H,25,28)
InChIKeyVYAAMBHCGLRWGI-UHFFFAOYSA-N
XLogP2.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
(2-pyridin-3-ylpiperazin-1-yl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 120731821
[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730841
[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
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(2-pyridin-3-ylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone;dihydrochloride
CID 120731783
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
[4-[methyl(2-methylpropyl)amino]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731304
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide (CID 120729451) is 2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide is CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is VYAAMBHCGLRWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2,3)21(28)25-13-16-6-8-17(9-7-16)20(27)26-12-11-24-15-19(26)18-5-4-10-23-14-18/h4-10,14,19,24H,11-13,15H2,1-3H3,(H,25,28).
What are the key properties of 2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide?
2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 380.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 120729451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).