2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

C21H34N4O3 — CID 78898036

IUPAC2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(COC)cc2)CC1
InChIInChI=1S/C21H34N4O3/c1-4-17(2)23-21(27)15-25-11-9-24(10-12-25)14-20(26)22-13-18-5-7-19(8-6-18)16-28-3/h5-8,17H,4,9-16H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyYVXRNZMXSBNUMW-UHFFFAOYSA-N
MW390.53 g/mol
LogP0.98
Rot. Bonds10

About 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 78898036) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID78898036
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(COC)cc2)CC1
InChIInChI=1S/C21H34N4O3/c1-4-17(2)23-21(27)15-25-11-9-24(10-12-25)14-20(26)22-13-18-5-7-19(8-6-18)16-28-3/h5-8,17H,4,9-16H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyYVXRNZMXSBNUMW-UHFFFAOYSA-N
XLogP0.98
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706
2-[4,7-bis(carboxymethyl)-10-[2-[[4-(methylaminooxymethyl)phenyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 126714170
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 87015230
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134019664
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51172066
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 120776497
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (CID 78898036) is 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is CCC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(COC)cc2)CC1.
What is the InChIKey of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is YVXRNZMXSBNUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-4-17(2)23-21(27)15-25-11-9-24(10-12-25)14-20(26)22-13-18-5-7-19(8-6-18)16-28-3/h5-8,17H,4,9-16H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 390.53 g/mol, XLogP of 0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 78898036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).