2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide

C16H29F2N3O2 — CID 97250401

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCC(C)[C@H](CNC(=O)C(F)(F)C1(O)CCC1)N1CCN(C)CC1
InChIInChI=1S/C16H29F2N3O2/c1-12(2)13(21-9-7-20(3)8-10-21)11-19-14(22)16(17,18)15(23)5-4-6-15/h12-13,23H,4-11H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyBYIBPAOGCUSHPZ-ZDUSSCGKSA-N
MW333.42 g/mol
LogP0.92
Rot. Bonds6

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide (PubChem CID 97250401) has the molecular formula C16H29F2N3O2 and a molecular weight of 333.42 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
PubChem CID97250401
Molecular FormulaC16H29F2N3O2
Molecular Weight333.42 g/mol
Exact Mass333.22
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCC(C)[C@H](CNC(=O)C(F)(F)C1(O)CCC1)N1CCN(C)CC1
InChIInChI=1S/C16H29F2N3O2/c1-12(2)13(21-9-7-20(3)8-10-21)11-19-14(22)16(17,18)15(23)5-4-6-15/h12-13,23H,4-11H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyBYIBPAOGCUSHPZ-ZDUSSCGKSA-N
XLogP0.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide 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-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 79815067
1-(4-bromophenyl)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 112823540
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658
1-(2-ethyl-2-hydroxybutyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110910079
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobut-2-enoic acid
CID 76992850
2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 61240833
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109469492

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide (CID 97250401) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide is CC(C)[C@H](CNC(=O)C(F)(F)C1(O)CCC1)N1CCN(C)CC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The InChIKey is BYIBPAOGCUSHPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29F2N3O2/c1-12(2)13(21-9-7-20(3)8-10-21)11-19-14(22)16(17,18)15(23)5-4-6-15/h12-13,23H,4-11H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide has a molecular weight of 333.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 97250401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).