4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide

C16H22N4O2 — CID 75509698

IUPAC4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCN(CC3CCCC3)C(=O)C2)ccn1
InChIInChI=1S/C16H22N4O2/c17-16(22)14-9-13(5-6-18-14)19-7-8-20(15(21)11-19)10-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10-11H2,(H2,17,22)
InChIKeyJHQIDAPXHYPIIG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.02
Rot. Bonds4

About 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide

4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide (PubChem CID 75509698) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide
PubChem CID75509698
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCN(CC3CCCC3)C(=O)C2)ccn1
InChIInChI=1S/C16H22N4O2/c17-16(22)14-9-13(5-6-18-14)19-7-8-20(15(21)11-19)10-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10-11H2,(H2,17,22)
InChIKeyJHQIDAPXHYPIIG-UHFFFAOYSA-N
XLogP1.02
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide (CID 75509698) is 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide is NC(=O)c1cc(N2CCN(CC3CCCC3)C(=O)C2)ccn1.
What is the InChIKey of 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is JHQIDAPXHYPIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-16(22)14-9-13(5-6-18-14)19-7-8-20(15(21)11-19)10-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10-11H2,(H2,17,22).
What are the key properties of 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide?
4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 75509698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).