3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C18H29N5O2 — CID 71871956

IUPAC3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCCC1CN(C(C)=O)CCC1NC1CCCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C18H29N5O2/c1-4-14-11-22(13(2)24)9-7-16(14)20-17-6-5-8-23(18(17)25)15-10-19-21(3)12-15/h10,12,14,16-17,20H,4-9,11H2,1-3H3
InChIKeyNZDHJQHIJMZZFF-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.15
Rot. Bonds4

About 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 71871956) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID71871956
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCCC1CN(C(C)=O)CCC1NC1CCCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C18H29N5O2/c1-4-14-11-22(13(2)24)9-7-16(14)20-17-6-5-8-23(18(17)25)15-10-19-21(3)12-15/h10,12,14,16-17,20H,4-9,11H2,1-3H3
InChIKeyNZDHJQHIJMZZFF-UHFFFAOYSA-N
XLogP1.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 71871956) is 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is CCC1CN(C(C)=O)CCC1NC1CCCN(c2cnn(C)c2)C1=O.
What is the InChIKey of 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is NZDHJQHIJMZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-14-11-22(13(2)24)9-7-16(14)20-17-6-5-8-23(18(17)25)15-10-19-21(3)12-15/h10,12,14,16-17,20H,4-9,11H2,1-3H3.
What are the key properties of 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 71871956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).