4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide

C18H23N3O2 — CID 75380451

IUPAC4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(C(=O)C3=CCCC3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c19-17(22)15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-16/h3,5-8H,1-2,4,9-13H2,(H2,19,22)
InChIKeyPYLUZGFJQYJBID-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.54
Rot. Bonds4

About 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide

4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide (PubChem CID 75380451) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide
PubChem CID75380451
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(C(=O)C3=CCCC3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c19-17(22)15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-16/h3,5-8H,1-2,4,9-13H2,(H2,19,22)
InChIKeyPYLUZGFJQYJBID-UHFFFAOYSA-N
XLogP1.54
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide (CID 75380451) is 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCN(C(=O)C3=CCCC3)CC2)cc1.
What is the InChIKey of 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is PYLUZGFJQYJBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-17(22)15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-16/h3,5-8H,1-2,4,9-13H2,(H2,19,22).
What are the key properties of 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide?
4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopentene-1-carbonyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 75380451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).