2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one

C14H21N3O — CID 116924002

IUPAC2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one
SMILESCC(C)(CN1CCNCC1)C(=O)c1ccncc1
InChIInChI=1S/C14H21N3O/c1-14(2,11-17-9-7-16-8-10-17)13(18)12-3-5-15-6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyPHOPELSRKYKVAI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.20
Rot. Bonds4

About 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one

2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one (PubChem CID 116924002) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one
PubChem CID116924002
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one
SMILESCC(C)(CN1CCNCC1)C(=O)c1ccncc1
InChIInChI=1S/C14H21N3O/c1-14(2,11-17-9-7-16-8-10-17)13(18)12-3-5-15-6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyPHOPELSRKYKVAI-UHFFFAOYSA-N
XLogP1.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 63196246
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 81103968
3-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 107408621
N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 167508138
N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189037
N-(3-methyl-3-piperazin-1-ylbutyl)pyridin-4-amine
CID 115255549
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)pyridin-4-amine
CID 115255834
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 107459278
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599190
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one (CID 116924002) is 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one is CC(C)(CN1CCNCC1)C(=O)c1ccncc1.
What is the InChIKey of 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one?
The InChIKey is PHOPELSRKYKVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,11-17-9-7-16-8-10-17)13(18)12-3-5-15-6-4-12/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one?
2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 116924002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).