5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C22H28N4O2 — CID 109228768

IUPAC5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c27-22(24-16-21-7-4-12-28-21)19-13-20(15-23-14-19)26-10-8-25(9-11-26)17-18-5-2-1-3-6-18/h1-3,5-6,13-15,21H,4,7-12,16-17H2,(H,24,27)
InChIKeyXWHNBNLQTMNXEM-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.31
Rot. Bonds6

About 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109228768) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109228768
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c27-22(24-16-21-7-4-12-28-21)19-13-20(15-23-14-19)26-10-8-25(9-11-26)17-18-5-2-1-3-6-18/h1-3,5-6,13-15,21H,4,7-12,16-17H2,(H,24,27)
InChIKeyXWHNBNLQTMNXEM-UHFFFAOYSA-N
XLogP2.31
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92987604
N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103915
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
2-(4-benzylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133486
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 109228768) is 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cncc(N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XWHNBNLQTMNXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(24-16-21-7-4-12-28-21)19-13-20(15-23-14-19)26-10-8-25(9-11-26)17-18-5-2-1-3-6-18/h1-3,5-6,13-15,21H,4,7-12,16-17H2,(H,24,27).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).