(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide

C26H30N4O — CID 66594534

IUPAC(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCCCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C26H30N4O/c31-26(13-12-22-7-6-14-27-21-22)28-15-3-4-16-29-17-19-30(20-18-29)25-11-5-9-23-8-1-2-10-24(23)25/h1-2,5-14,21H,3-4,15-20H2,(H,28,31)/b13-12-
InChIKeyBLOSBAHOXPFMPY-SEYXRHQNSA-N
MW414.55 g/mol
LogP3.97
Rot. Bonds8

About (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide

(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 66594534) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID66594534
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCCCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C26H30N4O/c31-26(13-12-22-7-6-14-27-21-22)28-15-3-4-16-29-17-19-30(20-18-29)25-11-5-9-23-8-1-2-10-24(23)25/h1-2,5-14,21H,3-4,15-20H2,(H,28,31)/b13-12-
InChIKeyBLOSBAHOXPFMPY-SEYXRHQNSA-N
XLogP3.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 10894526
(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595349
N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54388780
(Z)-3-pyridin-3-yl-N-[4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butyl]prop-2-enamide
CID 68504453
(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595400
(E)-N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 15616538
N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 67937869
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide (CID 66594534) is (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C\c1cccnc1)NCCCCN1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is BLOSBAHOXPFMPY-SEYXRHQNSA-N. The full InChI is InChI=1S/C26H30N4O/c31-26(13-12-22-7-6-14-27-21-22)28-15-3-4-16-29-17-19-30(20-18-29)25-11-5-9-23-8-1-2-10-24(23)25/h1-2,5-14,21H,3-4,15-20H2,(H,28,31)/b13-12-.
What are the key properties of (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide?
(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 414.55 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 66594534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).