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

C19H28F2N4O3 — CID 55565889

IUPAC2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)Nc2ccccc2OC(F)F)CC1
InChIInChI=1S/C19H28F2N4O3/c1-3-14(2)22-17(26)12-24-8-10-25(11-9-24)13-18(27)23-15-6-4-5-7-16(15)28-19(20)21/h4-7,14,19H,3,8-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXYEDDYJIDIBWOZ-UHFFFAOYSA-N
MW398.45 g/mol
LogP1.76
Rot. Bonds9

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

2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 55565889) has the molecular formula C19H28F2N4O3 and a molecular weight of 398.45 g/mol. Its IUPAC name is 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID55565889
Molecular FormulaC19H28F2N4O3
Molecular Weight398.45 g/mol
Exact Mass398.21
IUPAC Name2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)Nc2ccccc2OC(F)F)CC1
InChIInChI=1S/C19H28F2N4O3/c1-3-14(2)22-17(26)12-24-8-10-25(11-9-24)13-18(27)23-15-6-4-5-7-16(15)28-19(20)21/h4-7,14,19H,3,8-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXYEDDYJIDIBWOZ-UHFFFAOYSA-N
XLogP1.76
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 51159910
N-[2-(difluoromethoxy)phenyl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47534873
4-[2-(2-chloroanilino)-2-oxoethyl]-N-[2-(difluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 74224697
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
N-[2-(difluoromethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 39723759
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 39745188
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (CID 55565889) is 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide is CCC(C)NC(=O)CN1CCN(CC(=O)Nc2ccccc2OC(F)F)CC1.
What is the InChIKey of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is XYEDDYJIDIBWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N4O3/c1-3-14(2)22-17(26)12-24-8-10-25(11-9-24)13-18(27)23-15-6-4-5-7-16(15)28-19(20)21/h4-7,14,19H,3,8-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 398.45 g/mol, XLogP of 1.76, 9 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-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 55565889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).