(Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one

C16H21NO — CID 19589550

IUPAC(Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one
SMILESC/C(=C/c1ccccc1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H21NO/c1-13-8-10-17(11-9-13)16(18)14(2)12-15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3/b14-12-
InChIKeyNEDJKIYIOPJMPC-OWBHPGMISA-N
MW243.35 g/mol
LogP3.35
Rot. Bonds2

About (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one

(Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 19589550) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one
PubChem CID19589550
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one
SMILESC/C(=C/c1ccccc1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H21NO/c1-13-8-10-17(11-9-13)16(18)14(2)12-15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3/b14-12-
InChIKeyNEDJKIYIOPJMPC-OWBHPGMISA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Brn 2646116
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Acetamide, N,N-bis(phenylmethyl)-
CID 82657
AI3-37156
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Piperidine, N-acetyl-4-benzyl-
CID 299608
Methyl-AP-237
CID 6447699
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CID 6116364
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one (CID 19589550) is (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one is C/C(=C/c1ccccc1)C(=O)N1CCC(C)CC1.
What is the InChIKey of (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is NEDJKIYIOPJMPC-OWBHPGMISA-N. The full InChI is InChI=1S/C16H21NO/c1-13-8-10-17(11-9-13)16(18)14(2)12-15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3/b14-12-.
What are the key properties of (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one?
(Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 243.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 19589550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).