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

C19H29N5O2 — CID 18154904

IUPAC2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C19H29N5O2/c1-19(2,3)18(26)24-8-4-15(5-9-24)17(25)23-12-10-22(11-13-23)16-14-20-6-7-21-16/h6-7,14-15H,4-5,8-13H2,1-3H3
InChIKeyIPRAZEWIQFCCOU-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.41
Rot. Bonds2

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

2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 18154904) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID18154904
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C19H29N5O2/c1-19(2,3)18(26)24-8-4-15(5-9-24)17(25)23-12-10-22(11-13-23)16-14-20-6-7-21-16/h6-7,14-15H,4-5,8-13H2,1-3H3
InChIKeyIPRAZEWIQFCCOU-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 18154904) is 2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(C(=O)N2CCN(c3cnccn3)CC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is IPRAZEWIQFCCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-19(2,3)18(26)24-8-4-15(5-9-24)17(25)23-12-10-22(11-13-23)16-14-20-6-7-21-16/h6-7,14-15H,4-5,8-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(4-pyrazin-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-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 18154904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).