2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide

C24H32N4O — CID 113029507

IUPAC2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cn1
InChIInChI=1S/C24H32N4O/c1-3-21(4-2)24(29)26-23-13-12-22(19-25-23)28-17-15-27(16-18-28)14-8-11-20-9-6-5-7-10-20/h5-13,19,21H,3-4,14-18H2,1-2H3,(H,25,26,29)/b11-8+
InChIKeyZSBOMJCMFGPYSS-DHZHZOJOSA-N
MW392.55 g/mol
LogP4.29
Rot. Bonds8

About 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide

2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide (PubChem CID 113029507) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide
PubChem CID113029507
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cn1
InChIInChI=1S/C24H32N4O/c1-3-21(4-2)24(29)26-23-13-12-22(19-25-23)28-17-15-27(16-18-28)14-8-11-20-9-6-5-7-10-20/h5-13,19,21H,3-4,14-18H2,1-2H3,(H,25,26,29)/b11-8+
InChIKeyZSBOMJCMFGPYSS-DHZHZOJOSA-N
XLogP4.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 113029514
2-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)butanamide
CID 113024566
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
CID 113031151
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide
CID 112984571
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
[6-(2-methylpropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109151821
tert-butyl N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]carbamate
CID 112984580
1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 82225075
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 109247128

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide (CID 113029507) is 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide is CCC(CC)C(=O)Nc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cn1.
What is the InChIKey of 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide?
The InChIKey is ZSBOMJCMFGPYSS-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H32N4O/c1-3-21(4-2)24(29)26-23-13-12-22(19-25-23)28-17-15-27(16-18-28)14-8-11-20-9-6-5-7-10-20/h5-13,19,21H,3-4,14-18H2,1-2H3,(H,25,26,29)/b11-8+.
What are the key properties of 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide?
2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide has a molecular weight of 392.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide is sourced from PubChem (CID 113029507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).