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

C20H29N3O2 — CID 124608788

IUPACN-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESC[C@]1(CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCCO1
InChIInChI=1S/C20H29N3O2/c1-20(10-6-16-25-20)17-21-19(24)23-14-12-22(13-15-23)11-5-9-18-7-3-2-4-8-18/h2-5,7-9H,6,10-17H2,1H3,(H,21,24)/b9-5+/t20-/m1/s1
InChIKeyFQXUKZUIKDUBDH-MVHVFESUSA-N
MW343.47 g/mol
LogP2.60
Rot. Bonds5

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

N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 124608788) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID124608788
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESC[C@]1(CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCCO1
InChIInChI=1S/C20H29N3O2/c1-20(10-6-16-25-20)17-21-19(24)23-14-12-22(13-15-23)11-5-9-18-7-3-2-4-8-18/h2-5,7-9H,6,10-17H2,1H3,(H,21,24)/b9-5+/t20-/m1/s1
InChIKeyFQXUKZUIKDUBDH-MVHVFESUSA-N
XLogP2.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 171134523
N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126426034
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970257
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989085
(2-methylpyrrolidin-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 156608349

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 124608788) is N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is C[C@]1(CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCCO1.
What is the InChIKey of N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is FQXUKZUIKDUBDH-MVHVFESUSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(10-6-16-25-20)17-21-19(24)23-14-12-22(13-15-23)11-5-9-18-7-3-2-4-8-18/h2-5,7-9H,6,10-17H2,1H3,(H,21,24)/b9-5+/t20-/m1/s1.
What are the key properties of N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 124608788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).