[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C20H26N4O — CID 109237510

IUPAC[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)(C)Nc1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-20(2,3)22-17-13-16(14-21-15-17)19(25)24-11-9-23(10-12-24)18-7-5-4-6-8-18/h4-8,13-15,22H,9-12H2,1-3H3
InChIKeyXMOPMVKQHDYSER-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.25
Rot. Bonds3

About [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109237510) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109237510
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)(C)Nc1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-20(2,3)22-17-13-16(14-21-15-17)19(25)24-11-9-23(10-12-24)18-7-5-4-6-8-18/h4-8,13-15,22H,9-12H2,1-3H3
InChIKeyXMOPMVKQHDYSER-UHFFFAOYSA-N
XLogP3.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540
(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109235071
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109237604
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109231816
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone
CID 109223025
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
[5-(butylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109224597
[4-(3-methylphenyl)piperazin-1-yl]-[5-(pentylamino)-3-pyridinyl]methanone
CID 109238400

Frequently Asked Questions

What is the IUPAC name of [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109237510) is [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is CC(C)(C)Nc1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XMOPMVKQHDYSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2,3)22-17-13-16(14-21-15-17)19(25)24-11-9-23(10-12-24)18-7-5-4-6-8-18/h4-8,13-15,22H,9-12H2,1-3H3.
What are the key properties of [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109237510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).