2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

C20H28F2N4O3 — CID 30724972

IUPAC2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1CCN(CC(=O)NC2CC2)CC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H28F2N4O3/c21-20(22)29-17-5-1-15(2-6-17)7-8-23-18(27)13-25-9-11-26(12-10-25)14-19(28)24-16-3-4-16/h1-2,5-6,16,20H,3-4,7-14H2,(H,23,27)(H,24,28)
InChIKeyZAYUDOQLVOPJDN-UHFFFAOYSA-N
MW410.47 g/mol
LogP0.84
Rot. Bonds10

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

2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 30724972) has the molecular formula C20H28F2N4O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
PubChem CID30724972
Molecular FormulaC20H28F2N4O3
Molecular Weight410.47 g/mol
Exact Mass410.21
IUPAC Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1CCN(CC(=O)NC2CC2)CC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H28F2N4O3/c21-20(22)29-17-5-1-15(2-6-17)7-8-23-18(27)13-25-9-11-26(12-10-25)14-19(28)24-16-3-4-16/h1-2,5-6,16,20H,3-4,7-14H2,(H,23,27)(H,24,28)
InChIKeyZAYUDOQLVOPJDN-UHFFFAOYSA-N
XLogP0.84
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 120774997
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
CID 86987372
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 120774996
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136674
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26574095
2-[2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 71866137
2-[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 96522228
1-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121569
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55740254
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 119919489
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(difluoromethoxy)benzamide
CID 55893056

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (CID 30724972) is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is O=C(CN1CCN(CC(=O)NC2CC2)CC1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is ZAYUDOQLVOPJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4O3/c21-20(22)29-17-5-1-15(2-6-17)7-8-23-18(27)13-25-9-11-26(12-10-25)14-19(28)24-16-3-4-16/h1-2,5-6,16,20H,3-4,7-14H2,(H,23,27)(H,24,28).
What are the key properties of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 0.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 30724972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).