4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide

C20H29ClFN5O2 — CID 46213922

IUPAC4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)C1
InChIInChI=1S/C20H29ClFN5O2/c1-20(2,3)27-7-6-23-17(13-27)18(28)25-8-10-26(11-9-25)19(29)24-14-4-5-15(21)16(22)12-14/h4-5,12,17,23H,6-11,13H2,1-3H3,(H,24,29)/t17-/m1/s1
InChIKeySRWQVWAIVQXPJY-QGZVFWFLSA-N
MW425.94 g/mol
LogP2.23
Rot. Bonds2

About 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide

4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 46213922) has the molecular formula C20H29ClFN5O2 and a molecular weight of 425.94 g/mol. Its IUPAC name is 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide
PubChem CID46213922
Molecular FormulaC20H29ClFN5O2
Molecular Weight425.94 g/mol
Exact Mass425.20
IUPAC Name4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)C1
InChIInChI=1S/C20H29ClFN5O2/c1-20(2,3)27-7-6-23-17(13-27)18(28)25-8-10-26(11-9-25)19(29)24-14-4-5-15(21)16(22)12-14/h4-5,12,17,23H,6-11,13H2,1-3H3,(H,24,29)/t17-/m1/s1
InChIKeySRWQVWAIVQXPJY-QGZVFWFLSA-N
XLogP2.23
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)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

Nbd-556
CID 1570601
N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6-Pentamethylpiperidin-4-Yl)ethanediamide
CID 46200212
(3s,5r)-5-{[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]methyl}-N-(3-Methylbutyl)piperidine-3-Carboxamide
CID 70679349
(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
CID 139267758
(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
CID 139267761
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetamide
CID 2980959
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 3240231
1-(4-Chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea
CID 6621466
N~1~'-(2,4-difluorophenyl)-1,4'-bipiperidine-1',4'-dicarboxamide
CID 16012830
N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide
CID 11690139
1-(4-Chloro-phenyl)-3-[2-(4-cyclohexyl-piperazin-1-yl)-4-methyl-pentyl]-urea
CID 44400977
Jrc-II-191
CID 46186917

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide (CID 46213922) is 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide is CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)C1.
What is the InChIKey of 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is SRWQVWAIVQXPJY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29ClFN5O2/c1-20(2,3)27-7-6-23-17(13-27)18(28)25-8-10-26(11-9-25)19(29)24-14-4-5-15(21)16(22)12-14/h4-5,12,17,23H,6-11,13H2,1-3H3,(H,24,29)/t17-/m1/s1.
What are the key properties of 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide?
4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 425.94 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46213922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).