tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate

C23H32Cl2N4O3 — CID 59846115

IUPACtert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CC2)C[C@@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H32Cl2N4O3/c1-23(2,3)32-22(31)29-13-12-28(16-4-5-16)15-20(29)21(30)27-10-8-26(9-11-27)17-6-7-18(24)19(25)14-17/h6-7,14,16,20H,4-5,8-13,15H2,1-3H3/t20-/m1/s1
InChIKeySNPKCFDQGLUHIK-HXUWFJFHSA-N
MW483.44 g/mol
LogP3.73
Rot. Bonds3

About tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate

tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate (PubChem CID 59846115) has the molecular formula C23H32Cl2N4O3 and a molecular weight of 483.44 g/mol. Its IUPAC name is tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate
PubChem CID59846115
Molecular FormulaC23H32Cl2N4O3
Molecular Weight483.44 g/mol
Exact Mass482.19
IUPAC Nametert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CC2)C[C@@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H32Cl2N4O3/c1-23(2,3)32-22(31)29-13-12-28(16-4-5-16)15-20(29)21(30)27-10-8-26(9-11-27)17-6-7-18(24)19(25)14-17/h6-7,14,16,20H,4-5,8-13,15H2,1-3H3/t20-/m1/s1
InChIKeySNPKCFDQGLUHIK-HXUWFJFHSA-N
XLogP3.73
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-4-tert-butyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate
CID 90990666
tert-butyl (2R)-2-[4-(4-chloro-3-methylphenyl)piperazine-1-carbonyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 143492015
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632
tert-butyl (2S)-2-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepane-1-carbonyl]azetidine-1-carboxylate
CID 59568356
tert-butyl [2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-4-prop-2-enylpiperazin-1-yl]sulfanylformate
CID 143491979
[(3S)-1-cyclopropylpiperidin-3-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone;[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 69129036
(2R)-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-4-pentan-2-ylpiperazine-1-carboxylic acid
CID 69105361
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
CID 72857510
tert-butyl (2R)-4-(3,4-dichlorobenzoyl)-2-methylpiperazine-1-carboxylate
CID 95777639
tert-butyl 4-(2-chloro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 87693783
tert-butyl 4-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-chlorophenyl]piperazine-1-carboxylate
CID 86725400
tert-butyl (2S,4S)-4-[4-(3,4-dichlorophenyl)piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 67507297

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate (CID 59846115) is tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2CC2)C[C@@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate?
The InChIKey is SNPKCFDQGLUHIK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32Cl2N4O3/c1-23(2,3)32-22(31)29-13-12-28(16-4-5-16)15-20(29)21(30)27-10-8-26(9-11-27)17-6-7-18(24)19(25)14-17/h6-7,14,16,20H,4-5,8-13,15H2,1-3H3/t20-/m1/s1.
What are the key properties of tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate?
tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate has a molecular weight of 483.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 59846115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).