2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one

C19H29N5O2 — CID 47985802

IUPAC2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H29N5O2/c1-19(2,3)17(26)24-9-4-6-15(14-24)16(25)22-10-12-23(13-11-22)18-20-7-5-8-21-18/h5,7-8,15H,4,6,9-14H2,1-3H3
InChIKeyACBHFXZFYXOVHF-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.41
Rot. Bonds2

About 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 47985802) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID47985802
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H29N5O2/c1-19(2,3)17(26)24-9-4-6-15(14-24)16(25)22-10-12-23(13-11-22)18-20-7-5-8-21-18/h5,7-8,15H,4,6,9-14H2,1-3H3
InChIKeyACBHFXZFYXOVHF-UHFFFAOYSA-N
XLogP1.41
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344246
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
1-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47988393
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984373
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134799971
(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 42952772
(4-pyrimidin-2-ylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110855029

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 47985802) is 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCCC(C(=O)N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is ACBHFXZFYXOVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-19(2,3)17(26)24-9-4-6-15(14-24)16(25)22-10-12-23(13-11-22)18-20-7-5-8-21-18/h5,7-8,15H,4,6,9-14H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 359.47 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 47985802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).