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

C19H29N5O2 — CID 75467810

IUPAC3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCCC(N3CCN(C(=O)C4CCCC4)CC3)C2=O)cn1
InChIInChI=1S/C19H29N5O2/c1-21-14-16(13-20-21)24-8-4-7-17(19(24)26)22-9-11-23(12-10-22)18(25)15-5-2-3-6-15/h13-15,17H,2-12H2,1H3
InChIKeyVJXZGJFFYPYZMA-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.25
Rot. Bonds3

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

3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 75467810) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID75467810
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCCC(N3CCN(C(=O)C4CCCC4)CC3)C2=O)cn1
InChIInChI=1S/C19H29N5O2/c1-21-14-16(13-20-21)24-8-4-7-17(19(24)26)22-9-11-23(12-10-22)18(25)15-5-2-3-6-15/h13-15,17H,2-12H2,1H3
InChIKeyVJXZGJFFYPYZMA-UHFFFAOYSA-N
XLogP1.25
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 75467810) is 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cn1cc(N2CCCC(N3CCN(C(=O)C4CCCC4)CC3)C2=O)cn1.
What is the InChIKey of 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is VJXZGJFFYPYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-21-14-16(13-20-21)24-8-4-7-17(19(24)26)22-9-11-23(12-10-22)18(25)15-5-2-3-6-15/h13-15,17H,2-12H2,1H3.
What are the key properties of 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 75467810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).