(Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one

C16H19N5O — CID 15076117

IUPAC(Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one
SMILESCC(=O)/C(=C\N1CCCCC1)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H19N5O/c1-13(22)15(12-20-10-6-3-7-11-20)16-17-18-19-21(16)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/b15-12+
InChIKeyBBAVKLPUQKXIHZ-NTCAYCPXSA-N
MW297.36 g/mol
LogP2.08
Rot. Bonds4

About (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one

(Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one (PubChem CID 15076117) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one
PubChem CID15076117
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one
SMILESCC(=O)/C(=C\N1CCCCC1)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H19N5O/c1-13(22)15(12-20-10-6-3-7-11-20)16-17-18-19-21(16)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/b15-12+
InChIKeyBBAVKLPUQKXIHZ-NTCAYCPXSA-N
XLogP2.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(2-chlorophenyl)-3-(dimethylamino)-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
CID 22301982
(Z)-4-(dimethylamino)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one
CID 2780790
1-(dimethylamino)-2-(1-phenyltetrazol-5-yl)hex-1-en-3-one
CID 3642835
(Z,4R)-4-bromo-1-(dimethylamino)-2-(1-phenyltetrazol-5-yl)pent-1-en-3-one
CID 98093019
S-(1-phenyltetrazol-5-yl) piperidine-1-carbothioate
CID 22964966
(E)-3-(dimethylamino)-1-(4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
CID 93017072
1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
CID 2825325
(E)-1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
CID 20835075
(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone
CID 134836100
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7465434
1-(4-fluorophenyl)tetrazole-5-carboxylic acid
CID 83883582
1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
CID 84670641

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one?
The IUPAC name of (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one (CID 15076117) is (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one.
What is the SMILES notation for (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one?
The canonical SMILES for (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one is CC(=O)/C(=C\N1CCCCC1)c1nnnn1-c1ccccc1.
What is the InChIKey of (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one?
The InChIKey is BBAVKLPUQKXIHZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H19N5O/c1-13(22)15(12-20-10-6-3-7-11-20)16-17-18-19-21(16)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/b15-12+.
What are the key properties of (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one?
(Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one is sourced from PubChem (CID 15076117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).