2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide

C18H29N3O — CID 83978608

IUPAC2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide
SMILESCN(C)C(=O)C(c1ccc(C(C)(C)C)cc1)N1CCNCC1
InChIInChI=1S/C18H29N3O/c1-18(2,3)15-8-6-14(7-9-15)16(17(22)20(4)5)21-12-10-19-11-13-21/h6-9,16,19H,10-13H2,1-5H3
InChIKeyPLXVDPORBORMBT-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.02
Rot. Bonds3

About 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide

2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide (PubChem CID 83978608) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide
PubChem CID83978608
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide
SMILESCN(C)C(=O)C(c1ccc(C(C)(C)C)cc1)N1CCNCC1
InChIInChI=1S/C18H29N3O/c1-18(2,3)15-8-6-14(7-9-15)16(17(22)20(4)5)21-12-10-19-11-13-21/h6-9,16,19H,10-13H2,1-5H3
InChIKeyPLXVDPORBORMBT-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
CID 83978321
(4-tert-butylphenyl)-piperazin-1-ylmethanamine
CID 116939723
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 84751205
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
CID 95180326
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol
CID 117109305
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 110891598

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide (CID 83978608) is 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide is CN(C)C(=O)C(c1ccc(C(C)(C)C)cc1)N1CCNCC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide?
The InChIKey is PLXVDPORBORMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-18(2,3)15-8-6-14(7-9-15)16(17(22)20(4)5)21-12-10-19-11-13-21/h6-9,16,19H,10-13H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide?
2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide has a molecular weight of 303.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide is sourced from PubChem (CID 83978608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).