2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide

C18H34N4O2 — CID 78808255

IUPAC2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C18H34N4O2/c1-18(2,3)19-16(23)14-20-10-12-21(13-11-20)15-17(24)22-8-6-4-5-7-9-22/h4-15H2,1-3H3,(H,19,23)
InChIKeyFROFTRBPDVEYHA-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.92
Rot. Bonds4

About 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide (PubChem CID 78808255) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
PubChem CID78808255
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C18H34N4O2/c1-18(2,3)19-16(23)14-20-10-12-21(13-11-20)15-17(24)22-8-6-4-5-7-9-22/h4-15H2,1-3H3,(H,19,23)
InChIKeyFROFTRBPDVEYHA-UHFFFAOYSA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
N-tert-butyl-2-[4-[2-(4-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 26518929
1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
CID 120679249
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 95900073
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908851
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;yttrium
CID 59282721
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 30968389
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 121184695

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide (CID 78808255) is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide?
The InChIKey is FROFTRBPDVEYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-18(2,3)19-16(23)14-20-10-12-21(13-11-20)15-17(24)22-8-6-4-5-7-9-22/h4-15H2,1-3H3,(H,19,23).
What are the key properties of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide?
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide has a molecular weight of 338.50 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 78808255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).