(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone

C22H28N4O2 — CID 109185136

IUPAC(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(NCC2CCCO2)cn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(21-9-8-19(15-24-21)23-16-20-7-4-14-28-20)26-12-10-25(11-13-26)17-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,20,23H,4,7,10-14,16-17H2
InChIKeyQZNQZSMBFOUOQG-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.63
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone

(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109185136) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109185136
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(NCC2CCCO2)cn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(21-9-8-19(15-24-21)23-16-20-7-4-14-28-20)26-12-10-25(11-13-26)17-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,20,23H,4,7,10-14,16-17H2
InChIKeyQZNQZSMBFOUOQG-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109185149
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
2-(4-benzylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133486
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109185160
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
5-(oxolan-2-ylmethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109185237
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone (CID 109185136) is (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone is O=C(c1ccc(NCC2CCCO2)cn1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is QZNQZSMBFOUOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(21-9-8-19(15-24-21)23-16-20-7-4-14-28-20)26-12-10-25(11-13-26)17-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,20,23H,4,7,10-14,16-17H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone?
(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109185136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).