(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone

C22H30N4O — CID 109229333

IUPAC(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone
SMILESCN(C)CCNc1cncc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H30N4O/c1-25(2)13-10-24-21-15-20(16-23-17-21)22(27)26-11-8-19(9-12-26)14-18-6-4-3-5-7-18/h3-7,15-17,19,24H,8-14H2,1-2H3
InChIKeyHIVUQMMZEPBMII-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.15
Rot. Bonds7

About (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone

(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone (PubChem CID 109229333) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone
PubChem CID109229333
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone
SMILESCN(C)CCNc1cncc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H30N4O/c1-25(2)13-10-24-21-15-20(16-23-17-21)22(27)26-11-8-19(9-12-26)14-18-6-4-3-5-7-18/h3-7,15-17,19,24H,8-14H2,1-2H3
InChIKeyHIVUQMMZEPBMII-UHFFFAOYSA-N
XLogP3.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227890
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-3-pyridinyl]methanone
CID 109224224
(4-benzylpiperazin-1-yl)-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229924
[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109229318
(4-benzylpiperidin-1-yl)-[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]methanone
CID 109253537
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109240472

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone (CID 109229333) is (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone is CN(C)CCNc1cncc(C(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone?
The InChIKey is HIVUQMMZEPBMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-25(2)13-10-24-21-15-20(16-23-17-21)22(27)26-11-8-19(9-12-26)14-18-6-4-3-5-7-18/h3-7,15-17,19,24H,8-14H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 109229333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).