3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C19H32N6O2 — CID 75467836

IUPAC3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCCN(CC)CC(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1
InChIInChI=1S/C19H32N6O2/c1-4-22(5-2)15-18(26)24-11-9-23(10-12-24)17-7-6-8-25(19(17)27)16-13-20-21(3)14-16/h13-14,17H,4-12,15H2,1-3H3
InChIKeySADZAJDNNSTNEV-UHFFFAOYSA-N
MW376.51 g/mol
LogP0.40
Rot. Bonds6

About 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 75467836) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID75467836
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCCN(CC)CC(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1
InChIInChI=1S/C19H32N6O2/c1-4-22(5-2)15-18(26)24-11-9-23(10-12-24)17-7-6-8-25(19(17)27)16-13-20-21(3)14-16/h13-14,17H,4-12,15H2,1-3H3
InChIKeySADZAJDNNSTNEV-UHFFFAOYSA-N
XLogP0.40
TPSA64.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 75467836) is 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is CCN(CC)CC(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1.
What is the InChIKey of 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is SADZAJDNNSTNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-4-22(5-2)15-18(26)24-11-9-23(10-12-24)17-7-6-8-25(19(17)27)16-13-20-21(3)14-16/h13-14,17H,4-12,15H2,1-3H3.
What are the key properties of 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 376.51 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 75467836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).