6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide

C16H20N4O4 — CID 146088221

IUPAC6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)nc1
InChIInChI=1S/C16H20N4O4/c17-14(21)11-3-4-12(18-10-11)15(22)19-5-7-20(8-6-19)16(23)13-2-1-9-24-13/h3-4,10,13H,1-2,5-9H2,(H2,17,21)
InChIKeyGZCCWOOFJJPFOJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.36
Rot. Bonds3

About 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide

6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 146088221) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide
PubChem CID146088221
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)nc1
InChIInChI=1S/C16H20N4O4/c17-14(21)11-3-4-12(18-10-11)15(22)19-5-7-20(8-6-19)16(23)13-2-1-9-24-13/h3-4,10,13H,1-2,5-9H2,(H2,17,21)
InChIKeyGZCCWOOFJJPFOJ-UHFFFAOYSA-N
XLogP-0.36
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684
[4-[4-(5-chloro-2-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274435
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4878720
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95320672

Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide (CID 146088221) is 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide is NC(=O)c1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)nc1.
What is the InChIKey of 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is GZCCWOOFJJPFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c17-14(21)11-3-4-12(18-10-11)15(22)19-5-7-20(8-6-19)16(23)13-2-1-9-24-13/h3-4,10,13H,1-2,5-9H2,(H2,17,21).
What are the key properties of 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 146088221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).