N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

C21H32N4O — CID 126442087

IUPACN-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCN1CCC[C@H](CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1
InChIInChI=1S/C21H32N4O/c1-23-11-5-10-20(18-23)17-22-21(26)25-15-13-24(14-16-25)12-6-9-19-7-3-2-4-8-19/h2-4,6-9,20H,5,10-18H2,1H3,(H,22,26)/b9-6+/t20-/m1/s1
InChIKeyAXXLDQPQGLCDSW-AQDCRGGLSA-N
MW356.51 g/mol
LogP2.37
Rot. Bonds5

About N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 126442087) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID126442087
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCN1CCC[C@H](CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1
InChIInChI=1S/C21H32N4O/c1-23-11-5-10-20(18-23)17-22-21(26)25-15-13-24(14-16-25)12-6-9-19-7-3-2-4-8-19/h2-4,6-9,20H,5,10-18H2,1H3,(H,22,26)/b9-6+/t20-/m1/s1
InChIKeyAXXLDQPQGLCDSW-AQDCRGGLSA-N
XLogP2.37
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126426034
N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 171134523
N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 119061368
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 124608788
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 91942292
(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 126442087) is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is CN1CCC[C@H](CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1.
What is the InChIKey of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is AXXLDQPQGLCDSW-AQDCRGGLSA-N. The full InChI is InChI=1S/C21H32N4O/c1-23-11-5-10-20(18-23)17-22-21(26)25-15-13-24(14-16-25)12-6-9-19-7-3-2-4-8-19/h2-4,6-9,20H,5,10-18H2,1H3,(H,22,26)/b9-6+/t20-/m1/s1.
What are the key properties of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 126442087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).