N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

C20H31N3O — CID 109030023

IUPACN-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCC(C)(C)NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-20(2,3)21-19(24)11-13-23-16-14-22(15-17-23)12-7-10-18-8-5-4-6-9-18/h4-10H,11-17H2,1-3H3,(H,21,24)/b10-7+
InChIKeyXIRVCUGGGINQHA-JXMROGBWSA-N
MW329.49 g/mol
LogP2.62
Rot. Bonds6

About N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 109030023) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID109030023
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCC(C)(C)NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-20(2,3)21-19(24)11-13-23-16-14-22(15-17-23)12-7-10-18-8-5-4-6-9-18/h4-10H,11-17H2,1-3H3,(H,21,24)/b10-7+
InChIKeyXIRVCUGGGINQHA-JXMROGBWSA-N
XLogP2.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
N-tert-butyl-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108986110
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030036
N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109016909
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
CID 5389665
1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 109023804
N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109021976
N-(furan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109018456
N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
CID 91962017
N-(2,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-1-yl]propanamide
CID 177374603

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 109030023) is N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is CC(C)(C)NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is XIRVCUGGGINQHA-JXMROGBWSA-N. The full InChI is InChI=1S/C20H31N3O/c1-20(2,3)21-19(24)11-13-23-16-14-22(15-17-23)12-7-10-18-8-5-4-6-9-18/h4-10H,11-17H2,1-3H3,(H,21,24)/b10-7+.
What are the key properties of N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 329.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 109030023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).