1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone

C21H26N4O2 — CID 109169044

IUPAC1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(26)24-12-14-25(15-13-24)21(27)19-9-11-23-20(16-19)22-10-5-8-18-6-3-2-4-7-18/h2-4,6-7,9,11,16H,5,8,10,12-15H2,1H3,(H,22,23)
InChIKeyFNROMMXTBIXLIM-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.43
Rot. Bonds6

About 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109169044) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109169044
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(26)24-12-14-25(15-13-24)21(27)19-9-11-23-20(16-19)22-10-5-8-18-6-3-2-4-7-18/h2-4,6-7,9,11,16H,5,8,10,12-15H2,1H3,(H,22,23)
InChIKeyFNROMMXTBIXLIM-UHFFFAOYSA-N
XLogP2.43
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168852
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444
ethyl 4-[6-(3-phenylpropylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160302
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
[2-[2-(4-chlorophenyl)ethylamino]-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168648
4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone (CID 109169044) is 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccnc(NCCCc3ccccc3)c2)CC1.
What is the InChIKey of 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is FNROMMXTBIXLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17(26)24-12-14-25(15-13-24)21(27)19-9-11-23-20(16-19)22-10-5-8-18-6-3-2-4-7-18/h2-4,6-7,9,11,16H,5,8,10,12-15H2,1H3,(H,22,23).
What are the key properties of 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 366.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109169044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).