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N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

C22H33N5O2 — CID 30649285

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(C(=O)CN3CCN(CC(=O)NC4CC4)CC3)CC2)c1
InChIInChI=1S/C22H33N5O2/c1-18-3-2-4-20(15-18)26-11-13-27(14-12-26)22(29)17-25-9-7-24(8-10-25)16-21(28)23-19-5-6-19/h2-4,15,19H,5-14,16-17H2,1H3,(H,23,28)
InChIKeyHFMONCXNZBUDSS-UHFFFAOYSA-N
MW399.54 g/mol
LogP0.54
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30649285) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30649285
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(C(=O)CN3CCN(CC(=O)NC4CC4)CC3)CC2)c1
InChIInChI=1S/C22H33N5O2/c1-18-3-2-4-20(15-18)26-11-13-27(14-12-26)22(29)17-25-9-7-24(8-10-25)16-21(28)23-19-5-6-19/h2-4,15,19H,5-14,16-17H2,1H3,(H,23,28)
InChIKeyHFMONCXNZBUDSS-UHFFFAOYSA-N
XLogP0.54
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30649285) is N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is Cc1cccc(N2CCN(C(=O)CN3CCN(CC(=O)NC4CC4)CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is HFMONCXNZBUDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-18-3-2-4-20(15-18)26-11-13-27(14-12-26)22(29)17-25-9-7-24(8-10-25)16-21(28)23-19-5-6-19/h2-4,15,19H,5-14,16-17H2,1H3,(H,23,28).
What are the key properties of N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30649285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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