4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide

C16H18N4O2 — CID 141146311

IUPAC4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)c2ccccc2)CC1c1cc[nH]c1
InChIInChI=1S/C16H18N4O2/c17-16(22)20-9-8-19(11-14(20)13-6-7-18-10-13)15(21)12-4-2-1-3-5-12/h1-7,10,14,18H,8-9,11H2,(H2,17,22)
InChIKeyWOVFUGLCDHVAAP-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.59
Rot. Bonds2

About 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide

4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide (PubChem CID 141146311) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide
PubChem CID141146311
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)c2ccccc2)CC1c1cc[nH]c1
InChIInChI=1S/C16H18N4O2/c17-16(22)20-9-8-19(11-14(20)13-6-7-18-10-13)15(21)12-4-2-1-3-5-12/h1-7,10,14,18H,8-9,11H2,(H2,17,22)
InChIKeyWOVFUGLCDHVAAP-UHFFFAOYSA-N
XLogP1.59
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide (CID 141146311) is 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide is NC(=O)N1CCN(C(=O)c2ccccc2)CC1c1cc[nH]c1.
What is the InChIKey of 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
The InChIKey is WOVFUGLCDHVAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-16(22)20-9-8-19(11-14(20)13-6-7-18-10-13)15(21)12-4-2-1-3-5-12/h1-7,10,14,18H,8-9,11H2,(H2,17,22).
What are the key properties of 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 141146311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).