4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide

C17H22F2N4O3 — CID 86987372

IUPAC4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1)NC1CC1
InChIInChI=1S/C17H22F2N4O3/c18-16(19)26-14-5-3-13(4-6-14)21-17(25)23-9-7-22(8-10-23)11-15(24)20-12-1-2-12/h3-6,12,16H,1-2,7-11H2,(H,20,24)(H,21,25)
InChIKeyXNHLSNXPRGBKBO-UHFFFAOYSA-N
MW368.38 g/mol
LogP1.72
Rot. Bonds6

About 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide

4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 86987372) has the molecular formula C17H22F2N4O3 and a molecular weight of 368.38 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID86987372
Molecular FormulaC17H22F2N4O3
Molecular Weight368.38 g/mol
Exact Mass368.17
IUPAC Name4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1)NC1CC1
InChIInChI=1S/C17H22F2N4O3/c18-16(19)26-14-5-3-13(4-6-14)21-17(25)23-9-7-22(8-10-23)11-15(24)20-12-1-2-12/h3-6,12,16H,1-2,7-11H2,(H,20,24)(H,21,25)
InChIKeyXNHLSNXPRGBKBO-UHFFFAOYSA-N
XLogP1.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47162409
N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 35373996
4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 167860273
N-tert-butyl-2-[4-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperazin-1-yl]acetamide
CID 9213724
N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 126769632
(2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 129366952
N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932791
2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 18778024
2-[4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 34435186
N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86986351
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9131152

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide (CID 86987372) is 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1)NC1CC1.
What is the InChIKey of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is XNHLSNXPRGBKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O3/c18-16(19)26-14-5-3-13(4-6-14)21-17(25)23-9-7-22(8-10-23)11-15(24)20-12-1-2-12/h3-6,12,16H,1-2,7-11H2,(H,20,24)(H,21,25).
What are the key properties of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide?
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 86987372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).