1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one

C24H36N4O2 — CID 24818867

IUPAC1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)CCN3CCCCC3=O)C2)CC1
InChIInChI=1S/C24H36N4O2/c1-20-7-2-3-9-22(20)26-17-15-25(16-18-26)21-8-6-13-28(19-21)24(30)11-14-27-12-5-4-10-23(27)29/h2-3,7,9,21H,4-6,8,10-19H2,1H3
InChIKeyKVHIUZBIMYPEGB-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.51
Rot. Bonds5

About 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one

1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one (PubChem CID 24818867) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
PubChem CID24818867
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)CCN3CCCCC3=O)C2)CC1
InChIInChI=1S/C24H36N4O2/c1-20-7-2-3-9-22(20)26-17-15-25(16-18-26)21-8-6-13-28(19-21)24(30)11-14-27-12-5-4-10-23(27)29/h2-3,7,9,21H,4-6,8,10-19H2,1H3
InChIKeyKVHIUZBIMYPEGB-UHFFFAOYSA-N
XLogP2.51
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The IUPAC name of 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one (CID 24818867) is 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The canonical SMILES for 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one is Cc1ccccc1N1CCN(C2CCCN(C(=O)CCN3CCCCC3=O)C2)CC1.
What is the InChIKey of 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The InChIKey is KVHIUZBIMYPEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-20-7-2-3-9-22(20)26-17-15-25(16-18-26)21-8-6-13-28(19-21)24(30)11-14-27-12-5-4-10-23(27)29/h2-3,7,9,21H,4-6,8,10-19H2,1H3.
What are the key properties of 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one has a molecular weight of 412.58 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one is sourced from PubChem (CID 24818867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).